diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt index 694b93caa9b90ee2f3448f94d61d630d3d3228d6..37e37c70c6f7f46c8473b7e15ee38910890a869a 100644 --- a/doc/src/Manual.txt +++ b/doc/src/Manual.txt @@ -140,12 +140,11 @@ END_RST --> 5.1 "Measuring performance"_acc_1 :ulb,b 5.2 "Algorithms and code options to boost performace"_acc_2 :b 5.3 "Accelerator packages with optimized styles"_acc_3 :b - 5.3.1 "USER-CUDA package"_accelerate_cuda.html :ulb,b - 5.3.2 "GPU package"_accelerate_gpu.html :b - 5.3.3 "USER-INTEL package"_accelerate_intel.html :b - 5.3.4 "KOKKOS package"_accelerate_kokkos.html :b - 5.3.5 "USER-OMP package"_accelerate_omp.html :b - 5.3.6 "OPT package"_accelerate_opt.html :ule,b + 5.3.1 "GPU package"_accelerate_gpu.html :ulb,b + 5.3.2 "USER-INTEL package"_accelerate_intel.html :b + 5.3.3 "KOKKOS package"_accelerate_kokkos.html :b + 5.3.4 "USER-OMP package"_accelerate_omp.html :b + 5.3.5 "OPT package"_accelerate_opt.html :ule,b 5.4 "Comparison of various accelerator packages"_acc_4 :ule,b "How-to discussions"_Section_howto.html :l 6.1 "Restarting a simulation"_howto_1 :ulb,b diff --git a/doc/src/Section_accelerate.txt b/doc/src/Section_accelerate.txt index 6bdbb3b121a70bc214d1eee69b108cea661fa6e2..9977853b4360362191f4f329b6492143f4eb27b7 100644 --- a/doc/src/Section_accelerate.txt +++ b/doc/src/Section_accelerate.txt @@ -24,12 +24,11 @@ multi-core CPUs, GPUs, and Intel Xeon Phi coprocessors. 5.1 "Measuring performance"_#acc_1 :ulb,l 5.2 "Algorithms and code options to boost performace"_#acc_2 :l 5.3 "Accelerator packages with optimized styles"_#acc_3 :l - 5.3.1 "USER-CUDA package"_accelerate_cuda.html :ulb,l - 5.3.2 "GPU package"_accelerate_gpu.html :l - 5.3.3 "USER-INTEL package"_accelerate_intel.html :l - 5.3.4 "KOKKOS package"_accelerate_kokkos.html :l - 5.3.5 "USER-OMP package"_accelerate_omp.html :l - 5.3.6 "OPT package"_accelerate_opt.html :l,ule + 5.3.1 "GPU package"_accelerate_gpu.html :l + 5.3.2 "USER-INTEL package"_accelerate_intel.html :l + 5.3.3 "KOKKOS package"_accelerate_kokkos.html :l + 5.3.4 "USER-OMP package"_accelerate_omp.html :l + 5.3.5 "OPT package"_accelerate_opt.html :l,ule 5.4 "Comparison of various accelerator packages"_#acc_4 :l,ule The "Benchmark page"_http://lammps.sandia.gov/bench.html of the LAMMPS @@ -157,7 +156,6 @@ packages"_Section_packages.html. These are the accelerator packages currently in LAMMPS, either as standard or user packages: -"USER-CUDA"_accelerate_cuda.html : for NVIDIA GPUs "GPU"_accelerate_gpu.html : for NVIDIA GPUs as well as OpenCL support "USER-INTEL"_accelerate_intel.html : for Intel CPUs and Intel Xeon Phi "KOKKOS"_accelerate_kokkos.html : for GPUs, Intel Xeon Phi, and OpenMP threading @@ -168,7 +166,7 @@ Inverting this list, LAMMPS currently has acceleration support for three kinds of hardware, via the listed packages: Many-core CPUs : "USER-INTEL"_accelerate_intel.html, "KOKKOS"_accelerate_kokkos.html, "USER-OMP"_accelerate_omp.html, "OPT"_accelerate_opt.html packages -NVIDIA GPUs : "USER-CUDA"_accelerate_cuda.html, "GPU"_accelerate_gpu.html, "KOKKOS"_accelerate_kokkos.html packages +NVIDIA GPUs : "GPU"_accelerate_gpu.html, "KOKKOS"_accelerate_kokkos.html packages Intel Phi : "USER-INTEL"_accelerate_intel.html, "KOKKOS"_accelerate_kokkos.html packages :tb(s=:) Which package is fastest for your hardware may depend on the size @@ -186,7 +184,6 @@ same, except for precision and round-off effects. For example, all of these styles are accelerated variants of the Lennard-Jones "pair_style lj/cut"_pair_lj.html: -"pair_style lj/cut/cuda"_pair_lj.html "pair_style lj/cut/gpu"_pair_lj.html "pair_style lj/cut/intel"_pair_lj.html "pair_style lj/cut/kk"_pair_lj.html @@ -205,7 +202,7 @@ package and are explained in the individual accelerator doc pages, listed above: build the accelerator library | - only for USER-CUDA and GPU packages | + only for GPU package | install the accelerator package | make yes-opt, make yes-user-intel, etc | add compile/link flags to Makefile.machine | @@ -218,7 +215,7 @@ run a LAMMPS simulation | mpirun -np 32 lmp_machine -in in.script | enable the accelerator package | via "-c on" and "-k on" "command-line switches"_Section_start.html#start_7, <br> - only for USER-CUDA and KOKKOS packages | + only for KOKKOS package | set any needed options for the package | via "-pk" "command-line switch"_Section_start.html#start_7 or "package"_package.html command, <br> @@ -250,18 +247,16 @@ option for the KOKKOS package. These are the exceptions. You cannot build a single executable with: both the USER-INTEL Phi and KOKKOS Phi options -the USER-INTEL Phi or Kokkos Phi option, and either the USER-CUDA or GPU packages :ul +the USER-INTEL Phi or Kokkos Phi option, and the GPU package :ul See the examples/accelerate/README and make.list files for sample Make.py commands that build LAMMPS with any or all of the accelerator packages. As an example, here is a command that builds with all the -GPU related packages installed (USER-CUDA, GPU, KOKKOS with Cuda), -including settings to build the needed auxiliary USER-CUDA and GPU -libraries for Kepler GPUs: +GPU related packages installed (GPU, KOKKOS with Cuda), including +settings to build the needed auxiliary GPU libraries for Kepler GPUs: -Make.py -j 16 -p omp gpu cuda kokkos -cc nvcc wrap=mpi \ - -cuda mode=double arch=35 -gpu mode=double arch=35 \\ - -kokkos cuda arch=35 lib-all file mpi :pre +Make.py -j 16 -p omp gpu kokkos -cc nvcc wrap=mpi \ + -gpu mode=double arch=35 -kokkos cuda arch=35 lib-all file mpi :pre The examples/accelerate directory also has input scripts that can be used with all of the accelerator packages. See its README file for @@ -281,10 +276,9 @@ size and number of compute nodes, on different hardware platforms. Here is a brief summary of what the various packages provide. Details are in the individual accelerator sections. -Styles with a "cuda" or "gpu" suffix are part of the USER-CUDA or GPU -packages, and can be run on NVIDIA GPUs. The speed-up on a GPU -depends on a variety of factors, discussed in the accelerator -sections. :ulb,l +Styles with a "gpu" suffix are part of the GPU package, and can be run +on NVIDIA GPUs. The speed-up on a GPU depends on a variety of +factors, discussed in the accelerator sections. :ulb,l Styles with an "intel" suffix are part of the USER-INTEL package. These styles support vectorized single and mixed precision @@ -343,31 +337,28 @@ section below for examples where this has been done. The GPU package allows you to assign multiple CPUs (cores) to a single GPU (a common configuration for "hybrid" nodes that contain multicore -CPU(s) and GPU(s)) and works effectively in this mode. The USER-CUDA -package does not allow this; you can only use one CPU per GPU. :ulb,l +CPU(s) and GPU(s)) and works effectively in this mode. :ulb,l The GPU package moves per-atom data (coordinates, forces) -back-and-forth between the CPU and GPU every timestep. The USER-CUDA -package only does this on timesteps when a CPU calculation is required -(e.g. to invoke a fix or compute that is non-GPU-ized). Hence, if you -can formulate your input script to only use GPU-ized fixes and -computes, and avoid doing I/O too often (thermo output, dump file -snapshots, restart files), then the data transfer cost of the -USER-CUDA package can be very low, causing it to run faster than the +back-and-forth between the CPU and GPU every timestep. The +KOKKOS/CUDA package only does this on timesteps when a CPU calculation +is required (e.g. to invoke a fix or compute that is non-GPU-ized). +Hence, if you can formulate your input script to only use GPU-ized +fixes and computes, and avoid doing I/O too often (thermo output, dump +file snapshots, restart files), then the data transfer cost of the +KOKKOS/CUDA package can be very low, causing it to run faster than the GPU package. :l -The GPU package is often faster than the USER-CUDA package, if the +The GPU package is often faster than the KOKKOS/CUDA package, if the number of atoms per GPU is smaller. The crossover point, in terms of -atoms/GPU at which the USER-CUDA package becomes faster depends +atoms/GPU at which the KOKKOS/CUDA package becomes faster depends strongly on the pair style. For example, for a simple Lennard Jones system the crossover (in single precision) is often about 50K-100K atoms per GPU. When performing double precision calculations the crossover point can be significantly smaller. :l Both packages compute bonded interactions (bonds, angles, etc) on the -CPU. This means a model with bonds will force the USER-CUDA package -to transfer per-atom data back-and-forth between the CPU and GPU every -timestep. If the GPU package is running with several MPI processes +CPU. If the GPU package is running with several MPI processes assigned to one GPU, the cost of computing the bonded interactions is spread across more CPUs and hence the GPU package can run faster. :l @@ -382,34 +373,7 @@ full 16 lanes to each of the PCIe 2.0 16x slots. :l,ule [Differences between the two packages:] The GPU package accelerates only pair force, neighbor list, and PPPM -calculations. The USER-CUDA package currently supports a wider range -of pair styles and can also accelerate many fix styles and some -compute styles, as well as neighbor list and PPPM calculations. :ulb,l - -The USER-CUDA package does not support acceleration for minimization. :l - -The USER-CUDA package does not support hybrid pair styles. :l - -The USER-CUDA package can order atoms in the neighbor list differently -from run to run resulting in a different order for force accumulation. :l - -The USER-CUDA package has a limit on the number of atom types that can be -used in a simulation. :l +calculations. :ulb,l The GPU package requires neighbor lists to be built on the CPU when using -exclusion lists or a triclinic simulation box. :l - -The GPU package uses more GPU memory than the USER-CUDA package. This -is generally not a problem since typical runs are computation-limited -rather than memory-limited. :l,ule - -[Examples:] - -The LAMMPS distribution has two directories with sample input scripts -for the GPU and USER-CUDA packages. - -lammps/examples/gpu = GPU package files -lammps/examples/USER/cuda = USER-CUDA package files :ul - -These contain input scripts for identical systems, so they can be used -to benchmark the performance of both packages on your system. +exclusion lists or a triclinic simulation box. :l,ule diff --git a/doc/src/Section_commands.txt b/doc/src/Section_commands.txt index e02fd934cc3eee066b850a7275ef888540e8349c..1aed719d73004bc847b302ba682c07930b5ba68e 100644 --- a/doc/src/Section_commands.txt +++ b/doc/src/Section_commands.txt @@ -482,14 +482,14 @@ See the "fix"_fix.html command for one-line descriptions of each style or click on the style itself for a full description. Some of the styles have accelerated versions, which can be used if LAMMPS is built with the "appropriate accelerated package"_Section_accelerate.html. -This is indicated by additional letters in parenthesis: c = USER-CUDA, -g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. +This is indicated by additional letters in parenthesis: g = GPU, i = +USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "adapt"_fix_adapt.html, -"addforce (c)"_fix_addforce.html, +"addforce"_fix_addforce.html, "append/atoms"_fix_append_atoms.html, "atom/swap"_fix_atom_swap.html, -"aveforce (c)"_fix_aveforce.html, +"aveforce"_fix_aveforce.html, "ave/atom"_fix_ave_atom.html, "ave/chunk"_fix_ave_chunk.html, "ave/correlate"_fix_ave_correlate.html, @@ -507,13 +507,13 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "dt/reset"_fix_dt_reset.html, "efield"_fix_efield.html, "ehex"_fix_ehex.html, -"enforce2d (c)"_fix_enforce2d.html, +"enforce2d"_fix_enforce2d.html, "evaporate"_fix_evaporate.html, "external"_fix_external.html, -"freeze (c)"_fix_freeze.html, +"freeze"_fix_freeze.html, "gcmc"_fix_gcmc.html, "gld"_fix_gld.html, -"gravity (co)"_fix_gravity.html, +"gravity (o)"_fix_gravity.html, "heat"_fix_heat.html, "indent"_fix_indent.html, "langevin (k)"_fix_langevin.html, @@ -527,11 +527,11 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "nph/asphere (o)"_fix_nph_asphere.html, "nph/body"_fix_nph_body.html, "nph/sphere (o)"_fix_nph_sphere.html, -"npt (ckio)"_fix_nh.html, +"npt (kio)"_fix_nh.html, "npt/asphere (o)"_fix_npt_asphere.html, "npt/body"_fix_npt_body.html, "npt/sphere (o)"_fix_npt_sphere.html, -"nve (ckio)"_fix_nve.html, +"nve (kio)"_fix_nve.html, "nve/asphere (i)"_fix_nve_asphere.html, "nve/asphere/noforce"_fix_nve_asphere_noforce.html, "nve/body"_fix_nve_body.html, @@ -540,7 +540,7 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "nve/noforce"_fix_nve_noforce.html, "nve/sphere (o)"_fix_nve_sphere.html, "nve/tri"_fix_nve_tri.html, -"nvt (ciko)"_fix_nh.html, +"nvt (iko)"_fix_nh.html, "nvt/asphere (o)"_fix_nvt_asphere.html, "nvt/body"_fix_nvt_body.html, "nvt/sllod (io)"_fix_nvt_sllod.html, @@ -573,18 +573,18 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "rigid/small/npt"_fix_rigid.html, "rigid/small/nve"_fix_rigid.html, "rigid/small/nvt"_fix_rigid.html, -"setforce (ck)"_fix_setforce.html, -"shake (c)"_fix_shake.html, +"setforce (k)"_fix_setforce.html, +"shake"_fix_shake.html, "spring"_fix_spring.html, "spring/rg"_fix_spring_rg.html, "spring/self"_fix_spring_self.html, "srd"_fix_srd.html, "store/force"_fix_store_force.html, "store/state"_fix_store_state.html, -"temp/berendsen (c)"_fix_temp_berendsen.html, +"temp/berendsen"_fix_temp_berendsen.html, "temp/csld"_fix_temp_csvr.html, "temp/csvr"_fix_temp_csvr.html, -"temp/rescale (c)"_fix_temp_rescale.html, +"temp/rescale"_fix_temp_rescale.html, "tfmc"_fix_tfmc.html, "thermal/conductivity"_fix_thermal_conductivity.html, "tmd"_fix_tmd.html, @@ -592,7 +592,7 @@ g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "tune/kspace"_fix_tune_kspace.html, "vector"_fix_vector.html, "viscosity"_fix_viscosity.html, -"viscous (c)"_fix_viscous.html, +"viscous"_fix_viscous.html, "wall/colloid"_fix_wall.html, "wall/gran"_fix_wall_gran.html, "wall/harmonic"_fix_wall.html, @@ -670,7 +670,7 @@ each style or click on the style itself for a full description. Some of the styles have accelerated versions, which can be used if LAMMPS is built with the "appropriate accelerated package"_Section_accelerate.html. This is indicated by additional -letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k = +letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "angle"_compute_angle.html, @@ -716,10 +716,10 @@ KOKKOS, o = USER-OMP, t = OPT. "orientorder/atom"_compute_orientorder_atom.html, "pair"_compute_pair.html, "pair/local"_compute_pair_local.html, -"pe (c)"_compute_pe.html, +"pe"_compute_pe.html, "pe/atom"_compute_pe_atom.html, "plasticity/atom"_compute_plasticity_atom.html, -"pressure (c)"_compute_pressure.html, +"pressure"_compute_pressure.html, "property/atom"_compute_property_atom.html, "property/local"_compute_property_local.html, "property/chunk"_compute_property_chunk.html, @@ -731,13 +731,13 @@ KOKKOS, o = USER-OMP, t = OPT. "snad/atom"_compute_sna_atom.html, "snav/atom"_compute_sna_atom.html, "stress/atom"_compute_stress_atom.html, -"temp (ck)"_compute_temp.html, +"temp (k)"_compute_temp.html, "temp/asphere"_compute_temp_asphere.html, "temp/body"_compute_temp_body.html, "temp/chunk"_compute_temp_chunk.html, "temp/com"_compute_temp_com.html, "temp/deform"_compute_temp_deform.html, -"temp/partial (c)"_compute_temp_partial.html, +"temp/partial"_compute_temp_partial.html, "temp/profile"_compute_temp_profile.html, "temp/ramp"_compute_temp_ramp.html, "temp/region"_compute_temp_region.html, @@ -804,7 +804,7 @@ potentials. Click on the style itself for a full description. Many of the styles have accelerated versions, which can be used if LAMMPS is built with the "appropriate accelerated package"_Section_accelerate.html. This is indicated by additional -letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k = +letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "none"_pair_none.html, @@ -818,15 +818,15 @@ KOKKOS, o = USER-OMP, t = OPT. "body"_pair_body.html, "bop"_pair_bop.html, "born (go)"_pair_born.html, -"born/coul/long (cgo)"_pair_born.html, +"born/coul/long (go)"_pair_born.html, "born/coul/long/cs"_pair_born.html, "born/coul/msm (o)"_pair_born.html, "born/coul/wolf (go)"_pair_born.html, "brownian (o)"_pair_brownian.html, "brownian/poly (o)"_pair_brownian.html, -"buck (cgkio)"_pair_buck.html, -"buck/coul/cut (cgkio)"_pair_buck.html, -"buck/coul/long (cgkio)"_pair_buck.html, +"buck (gkio)"_pair_buck.html, +"buck/coul/cut (gkio)"_pair_buck.html, +"buck/coul/long (gkio)"_pair_buck.html, "buck/coul/long/cs"_pair_buck.html, "buck/coul/msm (o)"_pair_buck.html, "buck/long/coul/long (o)"_pair_buck_long.html, @@ -844,55 +844,55 @@ KOKKOS, o = USER-OMP, t = OPT. "dpd (o)"_pair_dpd.html, "dpd/tstat (o)"_pair_dpd.html, "dsmc"_pair_dsmc.html, -"eam (cgkot)"_pair_eam.html, -"eam/alloy (cgkot)"_pair_eam.html, -"eam/fs (cgkot)"_pair_eam.html, +"eam (gkot)"_pair_eam.html, +"eam/alloy (gkot)"_pair_eam.html, +"eam/fs (gkot)"_pair_eam.html, "eim (o)"_pair_eim.html, "gauss (go)"_pair_gauss.html, "gayberne (gio)"_pair_gayberne.html, "gran/hertz/history (o)"_pair_gran.html, -"gran/hooke (co)"_pair_gran.html, +"gran/hooke (o)"_pair_gran.html, "gran/hooke/history (o)"_pair_gran.html, "hbond/dreiding/lj (o)"_pair_hbond_dreiding.html, "hbond/dreiding/morse (o)"_pair_hbond_dreiding.html, "kim"_pair_kim.html, "lcbop"_pair_lcbop.html, "line/lj"_pair_line_lj.html, -"lj/charmm/coul/charmm (cko)"_pair_charmm.html, -"lj/charmm/coul/charmm/implicit (cko)"_pair_charmm.html, -"lj/charmm/coul/long (cgiko)"_pair_charmm.html, +"lj/charmm/coul/charmm (ko)"_pair_charmm.html, +"lj/charmm/coul/charmm/implicit (ko)"_pair_charmm.html, +"lj/charmm/coul/long (giko)"_pair_charmm.html, "lj/charmm/coul/msm"_pair_charmm.html, -"lj/class2 (cgko)"_pair_class2.html, -"lj/class2/coul/cut (cko)"_pair_class2.html, -"lj/class2/coul/long (cgko)"_pair_class2.html, +"lj/class2 (gko)"_pair_class2.html, +"lj/class2/coul/cut (ko)"_pair_class2.html, +"lj/class2/coul/long (gko)"_pair_class2.html, "lj/cubic (go)"_pair_lj_cubic.html, -"lj/cut (cgikot)"_pair_lj.html, -"lj/cut/coul/cut (cgko)"_pair_lj.html, -"lj/cut/coul/debye (cgko)"_pair_lj.html, +"lj/cut (gikot)"_pair_lj.html, +"lj/cut/coul/cut (gko)"_pair_lj.html, +"lj/cut/coul/debye (gko)"_pair_lj.html, "lj/cut/coul/dsf (gko)"_pair_lj.html, -"lj/cut/coul/long (cgikot)"_pair_lj.html, +"lj/cut/coul/long (gikot)"_pair_lj.html, "lj/cut/coul/long/cs"_pair_lj.html, "lj/cut/coul/msm (go)"_pair_lj.html, "lj/cut/dipole/cut (go)"_pair_dipole.html, "lj/cut/dipole/long"_pair_dipole.html, "lj/cut/tip4p/cut (o)"_pair_lj.html, "lj/cut/tip4p/long (ot)"_pair_lj.html, -"lj/expand (cgko)"_pair_lj_expand.html, -"lj/gromacs (cgko)"_pair_gromacs.html, -"lj/gromacs/coul/gromacs (cko)"_pair_gromacs.html, +"lj/expand (gko)"_pair_lj_expand.html, +"lj/gromacs (gko)"_pair_gromacs.html, +"lj/gromacs/coul/gromacs (ko)"_pair_gromacs.html, "lj/long/coul/long (o)"_pair_lj_long.html, "lj/long/dipole/long"_pair_dipole.html, "lj/long/tip4p/long"_pair_lj_long.html, -"lj/smooth (co)"_pair_lj_smooth.html, +"lj/smooth (o)"_pair_lj_smooth.html, "lj/smooth/linear (o)"_pair_lj_smooth_linear.html, -"lj96/cut (cgo)"_pair_lj96.html, +"lj96/cut (go)"_pair_lj96.html, "lubricate (o)"_pair_lubricate.html, "lubricate/poly (o)"_pair_lubricate.html, "lubricateU"_pair_lubricateU.html, "lubricateU/poly"_pair_lubricateU.html, "meam (o)"_pair_meam.html, "mie/cut (o)"_pair_mie.html, -"morse (cgot)"_pair_morse.html, +"morse (got)"_pair_morse.html, "nb3b/harmonic (o)"_pair_nb3b_harmonic.html, "nm/cut (o)"_pair_nm.html, "nm/cut/coul/cut (o)"_pair_nm.html, @@ -907,9 +907,9 @@ KOKKOS, o = USER-OMP, t = OPT. "resquared (go)"_pair_resquared.html, "snap"_pair_snap.html, "soft (go)"_pair_soft.html, -"sw (cgkio)"_pair_sw.html, +"sw (gkio)"_pair_sw.html, "table (gko)"_pair_table.html, -"tersoff (cgkio)"_pair_tersoff.html, +"tersoff (gkio)"_pair_tersoff.html, "tersoff/mod (gko)"_pair_tersoff_mod.html, "tersoff/zbl (gko)"_pair_tersoff_zbl.html, "tip4p/cut (o)"_pair_coul.html, @@ -982,7 +982,7 @@ potentials. Click on the style itself for a full description. Some of the styles have accelerated versions, which can be used if LAMMPS is built with the "appropriate accelerated package"_Section_accelerate.html. This is indicated by additional -letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k = +letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "none"_bond_none.html, @@ -1013,8 +1013,8 @@ angle potentials. Click on the style itself for a full description. Some of the styles have accelerated versions, which can be used if LAMMPS is built with the "appropriate accelerated package"_Section_accelerate.html. This is indicated by additional -letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k = -KOKKOS, o = USER-OMP, t = OPT. +letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = +USER-OMP, t = OPT. "none"_angle_none.html, "zero"_angle_zero.html, @@ -1049,8 +1049,8 @@ of dihedral potentials. Click on the style itself for a full description. Some of the styles have accelerated versions, which can be used if LAMMPS is built with the "appropriate accelerated package"_Section_accelerate.html. This is indicated by additional -letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k = -KOKKOS, o = USER-OMP, t = OPT. +letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = +USER-OMP, t = OPT. "none"_dihedral_none.html, "zero"_dihedral_zero.html, @@ -1081,8 +1081,8 @@ of improper potentials. Click on the style itself for a full description. Some of the styles have accelerated versions, which can be used if LAMMPS is built with the "appropriate accelerated package"_Section_accelerate.html. This is indicated by additional -letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k = -KOKKOS, o = USER-OMP, t = OPT. +letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = +USER-OMP, t = OPT. "none"_improper_none.html, "zero"_improper_zero.html, @@ -1110,14 +1110,14 @@ Kspace solvers. Click on the style itself for a full description. Some of the styles have accelerated versions, which can be used if LAMMPS is built with the "appropriate accelerated package"_Section_accelerate.html. This is indicated by additional -letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k = -KOKKOS, o = USER-OMP, t = OPT. +letters in parenthesis: g = GPU, i = USER-INTEL, k = KOKKOS, o = +USER-OMP, t = OPT. "ewald (o)"_kspace_style.html, "ewald/disp"_kspace_style.html, "msm (o)"_kspace_style.html, "msm/cg (o)"_kspace_style.html, -"pppm (cgo)"_kspace_style.html, +"pppm (go)"_kspace_style.html, "pppm/cg (o)"_kspace_style.html, "pppm/disp"_kspace_style.html, "pppm/disp/tip4p"_kspace_style.html, diff --git a/doc/src/Section_example.txt b/doc/src/Section_example.txt index f967b4ac784a207bacee3fa73e6afc7b41a6b04a..90b6ff144738cffb4f78ed96f19a456cffe2efb7 100644 --- a/doc/src/Section_example.txt +++ b/doc/src/Section_example.txt @@ -57,7 +57,6 @@ colloid: big colloid particles in a small particle solvent, 2d system comb: models using the COMB potential coreshell: core/shell model using CORESHELL package crack: crack propagation in a 2d solid -cuda: use of the USER-CUDA package for GPU acceleration deposit: deposit atoms and molecules on a surface dipole: point dipolar particles, 2d system dreiding: methanol via Dreiding FF diff --git a/doc/src/Section_packages.txt b/doc/src/Section_packages.txt index 31d910c03a37dd4bb27c0021748110d22893525d..2b674b5c2aba5ca7052a178216a382e0aaf1a17a 100644 --- a/doc/src/Section_packages.txt +++ b/doc/src/Section_packages.txt @@ -337,8 +337,8 @@ Contents: Dozens of pair styles and a version of the PPPM long-range Coulombic solver for NVIDIA GPUs. All of them have a "gpu" in their style name. "Section accelerate gpu"_accelerate_gpu.html gives details of what hardware and Cuda software is required on your system, -and how to build and use this package. See the KOKKOS and USER-CUDA -packages, which also have GPU-enabled styles. +and how to build and use this package. See the KOKKOS package, which +also has GPU-enabled styles. Building LAMMPS with the GPU package requires first building the GPU library itself, which is a set of C and Cuda files in lib/gpu. @@ -455,9 +455,8 @@ multicore CPUs (via OpenMP), NVIDIA GPUs, or the Intel Xeon Phi (in native mode). All of them have a "kk" in their style name. "Section accelerate kokkos"_accelerate_kokkos.html gives details of what hardware and software is required on your system, and how to build and -use this package. See the GPU, OPT, USER-CUDA, USER-INTEL, USER-OMP -packages, which also provide optimizations for the same range of -hardware. +use this package. See the GPU, OPT, USER-INTEL, USER-OMP packages, +which also provide optimizations for the same range of hardware. Building with the KOKKOS package requires choosing which of 3 hardware options you are optimizing for: CPU acceleration via OpenMP, GPU @@ -1144,7 +1143,6 @@ Package, Description, Author(s), Doc page, Example, Pic/movie, Library "USER-AWPMD"_#USER-AWPMD, wave-packet MD, Ilya Valuev (JIHT), "pair_style awpmd/cut"_pair_awpmd.html, USER/awpmd, -, lib/awpmd "USER-CG-CMM"_#USER-CG-CMM, coarse-graining model, Axel Kohlmeyer (Temple U), "pair_style lj/sdk"_pair_sdk.html, USER/cg-cmm, "cg"_cg, - "USER-COLVARS"_#USER-COLVARS, collective variables, Fiorin & Henin & Kohlmeyer (2), "fix colvars"_fix_colvars.html, USER/colvars, "colvars"_colvars, lib/colvars -"USER-CUDA"_#USER-CUDA, NVIDIA GPU styles, Christian Trott (U Tech Ilmenau), "Section accelerate"_accelerate_cuda.html, USER/cuda, -, lib/cuda "USER-DIFFRACTION"_#USER-DIFFRACTION, virutal x-ray and electron diffraction, Shawn Coleman (ARL),"compute xrd"_compute_xrd.html, USER/diffraction, -, - "USER-DPD"_#USER-DPD, dissipative particle dynamics (DPD), Larentzos & Mattox & Brennan (5), src/USER-DPD/README, USER/dpd, -, - "USER-DRUDE"_#USER-DRUDE, Drude oscillators, Dequidt & Devemy & Padua (3), "tutorial"_tutorial_drude.html, USER/drude, -, - @@ -1207,8 +1205,7 @@ documentation provided within the package. The "Example" column is a sub-directory in the examples directory of the distribution which has an input script that uses the package. -E.g. "peptide" refers to the examples/peptide directory. USER/cuda -refers to the examples/USER/cuda directory. +E.g. "peptide" refers to the examples/peptide directory. The "Library" column lists an external library which must be built first and which LAMMPS links to when it is built. If it is listed as @@ -1310,32 +1307,6 @@ have questions. :line -USER-CUDA package :link(USER-CUDA),h5 - -This package provides acceleration of various LAMMPS pair styles, fix -styles, compute styles, and long-range Coulombics via PPPM for NVIDIA -GPUs. - -See this section of the manual to get started: - -"Section_accelerate"_Section_accelerate.html#acc_7 - -There are example scripts for using this package in -examples/USER/cuda. - -This package uses an external library in lib/cuda which must be -compiled before making LAMMPS. See the lib/cuda/README file and the -LAMMPS manual for information on building LAMMPS with external -libraries. - -The person who created this package is Christian Trott at the -University of Technology Ilmenau, Germany (christian.trott at -tu-ilmenau.de). Contact him directly if you have questions. - -Examples: examples/accelerate, bench/FERMI, bench/KEPLER - -:line - USER-DIFFRACTION package :link(USER-DIFFRACTION),h5 Contents: This packages implements two computes and a fix for diff --git a/doc/src/Section_start.txt b/doc/src/Section_start.txt index 634e40d5876f9cf5dd3dca02190aeddf9af62a7a..2c98fa02b75348001ea3888d8c007354fd8181d2 100644 --- a/doc/src/Section_start.txt +++ b/doc/src/Section_start.txt @@ -325,10 +325,9 @@ long time (more than 2 billion atoms, more than 2 billion timesteps). See the "Additional build tips"_#start_2_4 section below for more details on these settings. -Note that two packages, USER-ATC and USER-CUDA are not currently -compatible with -DLAMMPS_BIGBIG. Also the GPU package requires the -lib/gpu library to be compiled with the same setting, or the link will -fail. +Note that the USER-ATC package is not currently compatible with +-DLAMMPS_BIGBIG. Also the GPU package requires the lib/gpu library to +be compiled with the same setting, or the link will fail. The -DLAMMPS_LONGLONG_TO_LONG setting may be needed if your system or MPI version does not recognize "long long" data types. In this case a @@ -1264,7 +1263,6 @@ At run time, LAMMPS recognizes several optional command-line switches which may be used in any order. Either the full word or a one-or-two letter abbreviation can be used: --c or -cuda -e or -echo -h or -help -i or -in @@ -1288,16 +1286,6 @@ mpirun -np 16 lmp_ibm -var f tmp.out -log my.log -screen none -in in.alloy :pre Here are the details on the options: --cuda on/off :pre - -Explicitly enable or disable CUDA support, as provided by the -USER-CUDA package. Even if LAMMPS is built with this package, as -described above in "Section 2.3"_#start_3, this switch must be set to -enable running with the CUDA-enabled styles the package provides. If -the switch is not set (the default), LAMMPS will operate as if the -USER-CUDA package were not installed; i.e. you can run standard LAMMPS -or with the GPU package, for testing or benchmarking purposes. - -echo style :pre Set the style of command echoing. The style can be {none} or {screen} @@ -1336,8 +1324,7 @@ above in "Section 2.3"_#start_3, this switch must be set to enable running with the KOKKOS-enabled styles the package provides. If the switch is not set (the default), LAMMPS will operate as if the KOKKOS package were not installed; i.e. you can run standard LAMMPS or with -the GPU or USER-CUDA or USER-OMP packages, for testing or benchmarking -purposes. +the GPU or USER-OMP packages, for testing or benchmarking purposes. Additional optional keyword/value pairs can be specified which determine how Kokkos will use the underlying hardware on your @@ -1610,34 +1597,34 @@ partition screen files file.N. -suffix style args :pre Use variants of various styles if they exist. The specified style can -be {cuda}, {gpu}, {intel}, {kk}, {omp}, {opt}, or {hybrid}. These refer -to optional packages that LAMMPS can be built with, as described above in -"Section 2.3"_#start_3. The "cuda" style corresponds to the USER-CUDA -package, the "gpu" style to the GPU package, the "intel" style to the -USER-INTEL package, the "kk" style to the KOKKOS package, the "opt" -style to the OPT package, and the "omp" style to the USER-OMP package. The -hybrid style is the only style that accepts arguments. It allows for two -packages to be specified. The first package specified is the default and -will be used if it is available. If no style is available for the first -package, the style for the second package will be used if available. For -example, "-suffix hybrid intel omp" will use styles from the USER-INTEL -package if they are installed and available, but styles for the USER-OMP -package otherwise. +be {cuda}, {gpu}, {intel}, {kk}, {omp}, {opt}, or {hybrid}. These +refer to optional packages that LAMMPS can be built with, as described +above in "Section 2.3"_#start_3. The "gpu" style corresponds to the +GPU package, the "intel" style to the USER-INTEL package, the "kk" +style to the KOKKOS package, the "opt" style to the OPT package, and +the "omp" style to the USER-OMP package. The hybrid style is the only +style that accepts arguments. It allows for two packages to be +specified. The first package specified is the default and will be used +if it is available. If no style is available for the first package, +the style for the second package will be used if available. For +example, "-suffix hybrid intel omp" will use styles from the +USER-INTEL package if they are installed and available, but styles for +the USER-OMP package otherwise. Along with the "-package" command-line switch, this is a convenient mechanism for invoking accelerator packages and their options without having to edit an input script. As an example, all of the packages provide a "pair_style -lj/cut"_pair_lj.html variant, with style names lj/cut/cuda, -lj/cut/gpu, lj/cut/intel, lj/cut/kk, lj/cut/omp, and lj/cut/opt. A -variant style can be specified explicitly in your input script, -e.g. pair_style lj/cut/gpu. If the -suffix switch is used the -specified suffix (cuda,gpu,intel,kk,omp,opt) is automatically appended -whenever your input script command creates a new -"atom"_atom_style.html, "pair"_pair_style.html, "fix"_fix.html, -"compute"_compute.html, or "run"_run_style.html style. If the variant -version does not exist, the standard version is created. +lj/cut"_pair_lj.html variant, with style names lj/cut/gpu, +lj/cut/intel, lj/cut/kk, lj/cut/omp, and lj/cut/opt. A variant style +can be specified explicitly in your input script, e.g. pair_style +lj/cut/gpu. If the -suffix switch is used the specified suffix +(cuda,gpu,intel,kk,omp,opt) is automatically appended whenever your +input script command creates a new "atom"_atom_style.html, +"pair"_pair_style.html, "fix"_fix.html, "compute"_compute.html, or +"run"_run_style.html style. If the variant version does not exist, +the standard version is created. For the GPU package, using this command-line switch also invokes the default GPU settings, as if the command "package gpu 1" were used at diff --git a/doc/src/accelerate_cuda.txt b/doc/src/accelerate_cuda.txt deleted file mode 100644 index 5a6ca4925f55166d5d2111fa486d0e7368fb7c29..0000000000000000000000000000000000000000 --- a/doc/src/accelerate_cuda.txt +++ /dev/null @@ -1,223 +0,0 @@ -"Previous Section"_Section_packages.html - "LAMMPS WWW Site"_lws - -"LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c - -:link(lws,http://lammps.sandia.gov) -:link(ld,Manual.html) -:link(lc,Section_commands.html#comm) - -:line - -"Return to Section accelerate overview"_Section_accelerate.html - -5.3.1 USER-CUDA package :h4 - -The USER-CUDA package was developed by Christian Trott (Sandia) while -at U Technology Ilmenau in Germany. It provides NVIDIA GPU versions -of many pair styles, many fixes, a few computes, and for long-range -Coulombics via the PPPM command. It has the following general -features: - -The package is designed to allow an entire LAMMPS calculation, for -many timesteps, to run entirely on the GPU (except for inter-processor -MPI communication), so that atom-based data (e.g. coordinates, forces) -do not have to move back-and-forth between the CPU and GPU. :ulb,l - -The speed-up advantage of this approach is typically better when the -number of atoms per GPU is large :l - -Data will stay on the GPU until a timestep where a non-USER-CUDA fix -or compute is invoked. Whenever a non-GPU operation occurs (fix, -compute, output), data automatically moves back to the CPU as needed. -This may incur a performance penalty, but should otherwise work -transparently. :l - -Neighbor lists are constructed on the GPU. :l - -The package only supports use of a single MPI task, running on a -single CPU (core), assigned to each GPU. :l,ule - -Here is a quick overview of how to use the USER-CUDA package: - -build the library in lib/cuda for your GPU hardware with desired precision -include the USER-CUDA package and build LAMMPS -use the mpirun command to specify 1 MPI task per GPU (on each node) -enable the USER-CUDA package via the "-c on" command-line switch -specify the # of GPUs per node -use USER-CUDA styles in your input script :ul - -The latter two steps can be done using the "-pk cuda" and "-sf cuda" -"command-line switches"_Section_start.html#start_7 respectively. Or -the effect of the "-pk" or "-sf" switches can be duplicated by adding -the "package cuda"_package.html or "suffix cuda"_suffix.html commands -respectively to your input script. - -[Required hardware/software:] - -To use this package, you need to have one or more NVIDIA GPUs and -install the NVIDIA Cuda software on your system: - -Your NVIDIA GPU needs to support Compute Capability 1.3. This list may -help you to find out the Compute Capability of your card: - -http://en.wikipedia.org/wiki/Comparison_of_Nvidia_graphics_processing_units - -Install the Nvidia Cuda Toolkit (version 3.2 or higher) and the -corresponding GPU drivers. The Nvidia Cuda SDK is not required, but -we recommend it also be installed. You can then make sure its sample -projects can be compiled without problems. - -[Building LAMMPS with the USER-CUDA package:] - -This requires two steps (a,b): build the USER-CUDA library, then build -LAMMPS with the USER-CUDA package. - -You can do both these steps in one line, using the src/Make.py script, -described in "Section 2.4"_Section_start.html#start_4 of the manual. -Type "Make.py -h" for help. If run from the src directory, this -command will create src/lmp_cuda using src/MAKE/Makefile.mpi as the -starting Makefile.machine: - -Make.py -p cuda -cuda mode=single arch=20 -o cuda -a lib-cuda file mpi :pre - -Or you can follow these two (a,b) steps: - -(a) Build the USER-CUDA library - -The USER-CUDA library is in lammps/lib/cuda. If your {CUDA} toolkit -is not installed in the default system directoy {/usr/local/cuda} edit -the file {lib/cuda/Makefile.common} accordingly. - -To build the library with the settings in lib/cuda/Makefile.default, -simply type: - -make :pre - -To set options when the library is built, type "make OPTIONS", where -{OPTIONS} are one or more of the following. The settings will be -written to the {lib/cuda/Makefile.defaults} before the build. - -{precision=N} to set the precision level - N = 1 for single precision (default) - N = 2 for double precision - N = 3 for positions in double precision - N = 4 for positions and velocities in double precision -{arch=M} to set GPU compute capability - M = 35 for Kepler GPUs - M = 20 for CC2.0 (GF100/110, e.g. C2050,GTX580,GTX470) (default) - M = 21 for CC2.1 (GF104/114, e.g. GTX560, GTX460, GTX450) - M = 13 for CC1.3 (GF200, e.g. C1060, GTX285) -{prec_timer=0/1} to use hi-precision timers - 0 = do not use them (default) - 1 = use them - this is usually only useful for Mac machines -{dbg=0/1} to activate debug mode - 0 = no debug mode (default) - 1 = yes debug mode - this is only useful for developers -{cufft=1} for use of the CUDA FFT library - 0 = no CUFFT support (default) - in the future other CUDA-enabled FFT libraries might be supported :pre - -If the build is successful, it will produce the files liblammpscuda.a and -Makefile.lammps. - -Note that if you change any of the options (like precision), you need -to re-build the entire library. Do a "make clean" first, followed by -"make". - -(b) Build LAMMPS with the USER-CUDA package - -cd lammps/src -make yes-user-cuda -make machine :pre - -No additional compile/link flags are needed in Makefile.machine. - -Note that if you change the USER-CUDA library precision (discussed -above) and rebuild the USER-CUDA library, then you also need to -re-install the USER-CUDA package and re-build LAMMPS, so that all -affected files are re-compiled and linked to the new USER-CUDA -library. - -[Run with the USER-CUDA package from the command line:] - -The mpirun or mpiexec command sets the total number of MPI tasks used -by LAMMPS (one or multiple per compute node) and the number of MPI -tasks used per node. E.g. the mpirun command in MPICH does this via -its -np and -ppn switches. Ditto for OpenMPI via -np and -npernode. - -When using the USER-CUDA package, you must use exactly one MPI task -per physical GPU. - -You must use the "-c on" "command-line -switch"_Section_start.html#start_7 to enable the USER-CUDA package. -The "-c on" switch also issues a default "package cuda 1"_package.html -command which sets various USER-CUDA options to default values, as -discussed on the "package"_package.html command doc page. - -Use the "-sf cuda" "command-line switch"_Section_start.html#start_7, -which will automatically append "cuda" to styles that support it. Use -the "-pk cuda Ng" "command-line switch"_Section_start.html#start_7 to -set Ng = # of GPUs per node to a different value than the default set -by the "-c on" switch (1 GPU) or change other "package -cuda"_package.html options. - -lmp_machine -c on -sf cuda -pk cuda 1 -in in.script # 1 MPI task uses 1 GPU -mpirun -np 2 lmp_machine -c on -sf cuda -pk cuda 2 -in in.script # 2 MPI tasks use 2 GPUs on a single 16-core (or whatever) node -mpirun -np 24 -ppn 2 lmp_machine -c on -sf cuda -pk cuda 2 -in in.script # ditto on 12 16-core nodes :pre - -The syntax for the "-pk" switch is the same as same as the "package -cuda" command. See the "package"_package.html command doc page for -details, including the default values used for all its options if it -is not specified. - -Note that the default for the "package cuda"_package.html command is -to set the Newton flag to "off" for both pairwise and bonded -interactions. This typically gives fastest performance. If the -"newton"_newton.html command is used in the input script, it can -override these defaults. - -[Or run with the USER-CUDA package by editing an input script:] - -The discussion above for the mpirun/mpiexec command and the requirement -of one MPI task per GPU is the same. - -You must still use the "-c on" "command-line -switch"_Section_start.html#start_7 to enable the USER-CUDA package. - -Use the "suffix cuda"_suffix.html command, or you can explicitly add a -"cuda" suffix to individual styles in your input script, e.g. - -pair_style lj/cut/cuda 2.5 :pre - -You only need to use the "package cuda"_package.html command if you -wish to change any of its option defaults, including the number of -GPUs/node (default = 1), as set by the "-c on" "command-line -switch"_Section_start.html#start_7. - -[Speed-ups to expect:] - -The performance of a GPU versus a multi-core CPU is a function of your -hardware, which pair style is used, the number of atoms/GPU, and the -precision used on the GPU (double, single, mixed). - -See the "Benchmark page"_http://lammps.sandia.gov/bench.html of the -LAMMPS web site for performance of the USER-CUDA package on different -hardware. - -[Guidelines for best performance:] - -The USER-CUDA package offers more speed-up relative to CPU performance -when the number of atoms per GPU is large, e.g. on the order of tens -or hundreds of 1000s. :ulb,l - -As noted above, this package will continue to run a simulation -entirely on the GPU(s) (except for inter-processor MPI communication), -for multiple timesteps, until a CPU calculation is required, either by -a fix or compute that is non-GPU-ized, or until output is performed -(thermo or dump snapshot or restart file). The less often this -occurs, the faster your simulation will run. :l,ule - -[Restrictions:] - -None. diff --git a/doc/src/accelerate_gpu.txt b/doc/src/accelerate_gpu.txt index b06e409cd9d2303f3b2017969bb88bac7527d6f4..886ab9c6207aa573c98f801310723bc454415b4f 100644 --- a/doc/src/accelerate_gpu.txt +++ b/doc/src/accelerate_gpu.txt @@ -9,7 +9,7 @@ "Return to Section accelerate overview"_Section_accelerate.html -5.3.2 GPU package :h4 +5.3.1 GPU package :h4 The GPU package was developed by Mike Brown at ORNL and his collaborators, particularly Trung Nguyen (ORNL). It provides GPU diff --git a/doc/src/accelerate_intel.txt b/doc/src/accelerate_intel.txt index aad366382995aeb6a4da96cb11ea79e572d97ec6..379758f71c7df7c94c470cd6f0fa2dc265b7530f 100644 --- a/doc/src/accelerate_intel.txt +++ b/doc/src/accelerate_intel.txt @@ -9,7 +9,7 @@ "Return to Section accelerate overview"_Section_accelerate.html -5.3.3 USER-INTEL package :h4 +5.3.2 USER-INTEL package :h4 The USER-INTEL package was developed by Mike Brown at Intel Corporation. It provides two methods for accelerating simulations, diff --git a/doc/src/accelerate_kokkos.txt b/doc/src/accelerate_kokkos.txt index 8d67606377791c02d75344ae9ea03437eb52f35a..b69bf8a3d95da322ee1fc385c711e02eb43e1c19 100644 --- a/doc/src/accelerate_kokkos.txt +++ b/doc/src/accelerate_kokkos.txt @@ -9,7 +9,7 @@ "Return to Section accelerate overview"_Section_accelerate.html -5.3.4 KOKKOS package :h4 +5.3.3 KOKKOS package :h4 The KOKKOS package was developed primarily by Christian Trott (Sandia) with contributions of various styles by others, including Sikandar @@ -118,9 +118,8 @@ multiple threads can be launched by each MPI task running on a CPU. To build with Kokkos support for NVIDIA GPUs, NVIDIA Cuda software version 6.5 or later must be installed on your system. See the -discussion for the "USER-CUDA"_accelerate_cuda.html and -"GPU"_accelerate_gpu.html packages for details of how to check and do -this. +discussion for the "GPU"_accelerate_gpu.html package for details of +how to check and do this. NOTE: For good performance of the KOKKOS package on GPUs, you must have Kepler generation GPUs (or later). The Kokkos library exploits @@ -378,8 +377,8 @@ When running on CPUs only, with multiple threads per MPI task, performance of a KOKKOS style is a bit slower than the USER-OMP package. :l -When running on GPUs, KOKKOS is typically faster than the USER-CUDA -and GPU packages. :l +When running large number of atoms per GPU, KOKKOS is typically faster +than the GPU package. :l When running on Intel Xeon Phi, KOKKOS is not as fast as the USER-INTEL package, which is optimized for that hardware. :l,ule diff --git a/doc/src/accelerate_omp.txt b/doc/src/accelerate_omp.txt index 4c7ef3f47b88bfa634172f98ce0371c9e2c0ac4d..0f969d6de1dec1909d8b4895043be2666ac38e3f 100644 --- a/doc/src/accelerate_omp.txt +++ b/doc/src/accelerate_omp.txt @@ -9,7 +9,7 @@ "Return to Section accelerate overview"_Section_accelerate.html -5.3.5 USER-OMP package :h4 +5.3.4 USER-OMP package :h4 The USER-OMP package was developed by Axel Kohlmeyer at Temple University. It provides multi-threaded versions of most pair styles, diff --git a/doc/src/accelerate_opt.txt b/doc/src/accelerate_opt.txt index c9cec212af91b0d5cd8b189d356519297dd61ced..32ea20af98f94d5471a87fb39f34da5a3c8dedc9 100644 --- a/doc/src/accelerate_opt.txt +++ b/doc/src/accelerate_opt.txt @@ -9,7 +9,7 @@ "Return to Section accelerate overview"_Section_accelerate.html -5.3.6 OPT package :h4 +5.3.5 OPT package :h4 The OPT package was developed by James Fischer (High Performance Technologies), David Richie, and Vincent Natoli (Stone Ridge diff --git a/doc/src/angle_charmm.txt b/doc/src/angle_charmm.txt index 5d734bada444e4c806f39fffbddfff9de751a6f1..e12602ab11cfdb19f47fd42f8e37af167f30d86e 100644 --- a/doc/src/angle_charmm.txt +++ b/doc/src/angle_charmm.txt @@ -48,7 +48,7 @@ internally; hence the units of K are in energy/radian^2. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -56,9 +56,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_class2.txt b/doc/src/angle_class2.txt index 0bee802650db426a396aee0dd93c2454e300cbef..9977f62417cc987e4d184fbaed347e73c86d34cf 100644 --- a/doc/src/angle_class2.txt +++ b/doc/src/angle_class2.txt @@ -78,7 +78,7 @@ same value from the Ea formula. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -86,9 +86,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_cosine.txt b/doc/src/angle_cosine.txt index e77e983055399748730eceee087a7cff0614db57..4f7a0820e71901f856c4091022f7079356db5d97 100644 --- a/doc/src/angle_cosine.txt +++ b/doc/src/angle_cosine.txt @@ -35,7 +35,7 @@ K (energy) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -43,9 +43,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_cosine_delta.txt b/doc/src/angle_cosine_delta.txt index 25703af3b760520337a5fd05769957f374f2c7dc..4a11aadf22f74abff2d301a83fe465c7f660f02c 100644 --- a/doc/src/angle_cosine_delta.txt +++ b/doc/src/angle_cosine_delta.txt @@ -40,7 +40,7 @@ internally. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -48,9 +48,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_cosine_periodic.txt b/doc/src/angle_cosine_periodic.txt index 7abc6beaf9d60d9d203db8f65d7905976df2798f..cfd1c3e4841982f32b2cd9b420eb225f2beb3509 100644 --- a/doc/src/angle_cosine_periodic.txt +++ b/doc/src/angle_cosine_periodic.txt @@ -48,7 +48,7 @@ geometry. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -56,9 +56,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_cosine_shift.txt b/doc/src/angle_cosine_shift.txt index b12498efb64e062345e0597146a8a4a033319a96..03b0d947c3095214d2bb6efe5fe133538be6da87 100644 --- a/doc/src/angle_cosine_shift.txt +++ b/doc/src/angle_cosine_shift.txt @@ -38,7 +38,7 @@ theta (angle) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -46,9 +46,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_cosine_shift_exp.txt b/doc/src/angle_cosine_shift_exp.txt index 8e0bef6aa646acbef5a1f81e6eb8106e1ae4862c..0d23a621b8237877e3ecc54d309a54824ebcc7ff 100644 --- a/doc/src/angle_cosine_shift_exp.txt +++ b/doc/src/angle_cosine_shift_exp.txt @@ -50,7 +50,7 @@ A (real number) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -58,9 +58,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_cosine_squared.txt b/doc/src/angle_cosine_squared.txt index 29b7f2f8480f1468adc7cb4fe7838773b8a4c419..a7264087af015ecfc38f53d3ab54baf82312cde9 100644 --- a/doc/src/angle_cosine_squared.txt +++ b/doc/src/angle_cosine_squared.txt @@ -40,7 +40,7 @@ internally. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -48,9 +48,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_dipole.txt b/doc/src/angle_dipole.txt index 45e5bc0fecd9b66842263b324d65fc67e8c26ba4..18eb57d82fffb18e0ae454f6767feb9bbf6332db 100644 --- a/doc/src/angle_dipole.txt +++ b/doc/src/angle_dipole.txt @@ -68,7 +68,7 @@ gamma0 (degrees) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -76,9 +76,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_fourier.txt b/doc/src/angle_fourier.txt index ab4a3d2918ce29f60475e6e5dc9c68b08bc33430..367b313e58b1dec67bb4fbb0ef7b06e1cf047601 100644 --- a/doc/src/angle_fourier.txt +++ b/doc/src/angle_fourier.txt @@ -36,7 +36,7 @@ C2 (real) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -44,9 +44,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_fourier_simple.txt b/doc/src/angle_fourier_simple.txt index bebb6ad883a4bfbdc3c01c41e55fab846d4c04b4..86806b4170a0b56396f2067c402139413a01045d 100644 --- a/doc/src/angle_fourier_simple.txt +++ b/doc/src/angle_fourier_simple.txt @@ -35,7 +35,7 @@ n (real) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -43,9 +43,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_harmonic.txt b/doc/src/angle_harmonic.txt index 56b169f0d8fff7e4b5632d0b1e2ec5da170c1452..a615972d007fb4abcfab7b5bcf39f740977249fa 100644 --- a/doc/src/angle_harmonic.txt +++ b/doc/src/angle_harmonic.txt @@ -42,7 +42,7 @@ internally; hence the units of K are in energy/radian^2. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -50,9 +50,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_quartic.txt b/doc/src/angle_quartic.txt index 1142a11422ac92285598b926e9789224f0a5a1db..c203fd3c7c5c813bc1cb3b45cf7133b662c67b55 100644 --- a/doc/src/angle_quartic.txt +++ b/doc/src/angle_quartic.txt @@ -42,7 +42,7 @@ internally; hence the units of K are in energy/radian^2. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -50,9 +50,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/angle_table.txt b/doc/src/angle_table.txt index 014587deec46aeaf21b1430c9191d069e4ec33c5..759b29f319dc45d6934b67fbf6a93a9d40c3e9cf 100644 --- a/doc/src/angle_table.txt +++ b/doc/src/angle_table.txt @@ -121,7 +121,7 @@ one that matches the specified keyword. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -129,9 +129,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/atom_style.txt b/doc/src/atom_style.txt index b24632cb02f218b1beea3125d3e71da8ababafad..64155422304d50dba1c8aae1590cf05d8c19e8ea 100644 --- a/doc/src/atom_style.txt +++ b/doc/src/atom_style.txt @@ -25,7 +25,7 @@ style = {angle} or {atomic} or {body} or {bond} or {charge} or {dipole} or \ template-ID = ID of molecule template specified in a separate "molecule"_molecule.html command {hybrid} args = list of one or more sub-styles, each with their args :pre -accelerated styles (with same args) = {angle/cuda} or {angle/kk} or {atomic/cuda} or {atomic/kk} or {bond/kk} or {charge/cuda} or {charge/kk} or {full/cuda} or {full/kk} or {molecular/kk} :l +accelerated styles (with same args) = {angle/kk} or {atomic/kk} or {bond/kk} or {charge/kk} or {full/kk} or {molecular/kk} :l :ule [Examples:] @@ -33,7 +33,6 @@ accelerated styles (with same args) = {angle/cuda} or {angle/kk} or {atomic/cuda atom_style atomic atom_style bond atom_style full -atom_style full/cuda atom_style body nparticle 2 10 atom_style hybrid charge bond atom_style hybrid charge body nparticle 2 5 @@ -227,7 +226,7 @@ styles; see "this section"_Section_modify.html. :line -Styles with a {cuda} or {kk} suffix are functionally the same as the +Styles with a {kk} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html of the manual. The @@ -238,10 +237,9 @@ Note that other acceleration packages in LAMMPS, specifically the GPU, USER-INTEL, USER-OMP, and OPT packages do not use accelerated atom styles. -The accelerated styles are part of the USER-CUDA and KOKKOS packages -respectively. They are only enabled if LAMMPS was built with those -packages. See the "Making LAMMPS"_Section_start.html#start_3 section -for more info. +The accelerated styles are part of the KOKKOS package. They are only +enabled if LAMMPS was built with those packages. See the "Making +LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script by including their suffix, or you can use the "-suffix command-line diff --git a/doc/src/bond_class2.txt b/doc/src/bond_class2.txt index 4784809f6781e32cfa0ad46d810138f80862d29b..89a8f10e82e231c58b509dcbb26b2eb95e311ef6 100644 --- a/doc/src/bond_class2.txt +++ b/doc/src/bond_class2.txt @@ -40,7 +40,7 @@ K4 (energy/distance^4) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -48,9 +48,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/bond_fene.txt b/doc/src/bond_fene.txt index 2e25fd90ffd3f47c4073480f084ed0be9906f510..28f2ffc8d083307066d65076308ecb5e9646e3d9 100644 --- a/doc/src/bond_fene.txt +++ b/doc/src/bond_fene.txt @@ -43,7 +43,7 @@ sigma (distance) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -51,9 +51,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/bond_fene_expand.txt b/doc/src/bond_fene_expand.txt index 5025304ce58f22450dfce3a1ffe42b99cf8d9d23..88c0651292e74a0f59e56dd6a06b95b30a95cff0 100644 --- a/doc/src/bond_fene_expand.txt +++ b/doc/src/bond_fene_expand.txt @@ -47,7 +47,7 @@ delta (distance) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -55,9 +55,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/bond_harmonic.txt b/doc/src/bond_harmonic.txt index fa61d441615fabaa505e0acf46b7276c93c35534..16d8b59ba3b3a0856ffa004b8ea970ade1325527 100644 --- a/doc/src/bond_harmonic.txt +++ b/doc/src/bond_harmonic.txt @@ -39,7 +39,7 @@ r0 (distance) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -47,9 +47,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/bond_harmonic_shift.txt b/doc/src/bond_harmonic_shift.txt index a814a94d88509cd705fcd02c00e96d1b63d78a5c..4f317fd59cb059da407712874915d218c1a12381 100644 --- a/doc/src/bond_harmonic_shift.txt +++ b/doc/src/bond_harmonic_shift.txt @@ -40,7 +40,7 @@ rc (distance) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -48,9 +48,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/bond_harmonic_shift_cut.txt b/doc/src/bond_harmonic_shift_cut.txt index f9adf2118f47c7d165c027f63e47cce52ba37e65..36ac210596e5743b0c5bb2fb97236878f1e92445 100644 --- a/doc/src/bond_harmonic_shift_cut.txt +++ b/doc/src/bond_harmonic_shift_cut.txt @@ -40,7 +40,7 @@ rc (distance) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -48,9 +48,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/bond_morse.txt b/doc/src/bond_morse.txt index 3644b1d74a72df43e56b33ecb67621f5cc8f494f..d42b35a487fcff668e490b94e3821e6d1902139b 100644 --- a/doc/src/bond_morse.txt +++ b/doc/src/bond_morse.txt @@ -38,7 +38,7 @@ r0 (distance) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -46,9 +46,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/bond_nonlinear.txt b/doc/src/bond_nonlinear.txt index 351e9dbaafd17db7649c99007da4268fe520a398..d61694efb2d8f9e57ea2f31b47d61366151bf07e 100644 --- a/doc/src/bond_nonlinear.txt +++ b/doc/src/bond_nonlinear.txt @@ -38,7 +38,7 @@ lamda (distance) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -46,9 +46,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/bond_quartic.txt b/doc/src/bond_quartic.txt index 035513a65f92fda5f26a7f67383bf1d2598ed22c..5c4a7638a02f2f07272705609f411029cecdf9a9 100644 --- a/doc/src/bond_quartic.txt +++ b/doc/src/bond_quartic.txt @@ -73,7 +73,7 @@ delete_bonds all bond 0 remove :pre :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -81,9 +81,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/bond_table.txt b/doc/src/bond_table.txt index 7d4191cf7eb9e4b9cb8b7d6faae41fa79d9464c3..3da27066401ecdf9e2464fb11f80f3d75d879d33 100644 --- a/doc/src/bond_table.txt +++ b/doc/src/bond_table.txt @@ -118,7 +118,7 @@ one that matches the specified keyword. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -126,9 +126,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/compute_pe.txt b/doc/src/compute_pe.txt index 49c62a9b9e33ab46ea2ce1bc463e7ad3e679d654..9623950211da680cc7f35ea0275756d5d02d5c0c 100644 --- a/doc/src/compute_pe.txt +++ b/doc/src/compute_pe.txt @@ -7,7 +7,6 @@ :line compute pe command :h3 -compute pe/cuda command :h3 [Syntax:] @@ -60,29 +59,6 @@ See the "thermo_style" command for more details. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are -functionally the same as the corresponding style without the suffix. -They have been optimized to run faster, depending on your available -hardware, as discussed in "Section_accelerate"_Section_accelerate.html -of the manual. The accelerated styles take the same arguments and -should produce the same results, except for round-off and precision -issues. - -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making -LAMMPS"_Section_start.html#start_3 section for more info. - -You can specify the accelerated styles explicitly in your input script -by including their suffix, or you can use the "-suffix command-line -switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can -use the "suffix"_suffix.html command in your input script. - -See "Section_accelerate"_Section_accelerate.html of the manual for -more instructions on how to use the accelerated styles effectively. - -:line - [Output info:] This compute calculates a global scalar (the potential energy). This diff --git a/doc/src/compute_pressure.txt b/doc/src/compute_pressure.txt index 38ae67012d714bbc65fac4200bf0de7e053fe5cf..d22b9b8aa7b2bfe46ffe38c0f21e724b45c7c3f3 100644 --- a/doc/src/compute_pressure.txt +++ b/doc/src/compute_pressure.txt @@ -7,7 +7,6 @@ :line compute pressure command :h3 -compute pressure/cuda command :h3 [Syntax:] @@ -96,7 +95,7 @@ where "thermo_temp" is the ID of a similarly defined compute of style :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -104,9 +103,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/compute_temp.txt b/doc/src/compute_temp.txt index e10fed0970ed98aaba1899b35a51a87839df5238..07be3c46accf6297b8ada1a8a6ca3d01c82cf888 100644 --- a/doc/src/compute_temp.txt +++ b/doc/src/compute_temp.txt @@ -7,7 +7,6 @@ :line compute temp command :h3 -compute temp/cuda command :h3 compute temp/kk command :h3 [Syntax:] @@ -65,7 +64,7 @@ thermostatting. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -73,9 +72,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/compute_temp_partial.txt b/doc/src/compute_temp_partial.txt index c86a52baf6e10095027c3a87b11650929d96496a..798d3a270b5b84e45177a13682679e494aa3908a 100644 --- a/doc/src/compute_temp_partial.txt +++ b/doc/src/compute_temp_partial.txt @@ -7,7 +7,6 @@ :line compute temp/partial command :h3 -compute temp/partial/cuda command :h3 [Syntax:] @@ -72,7 +71,7 @@ thermostatting. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -80,9 +79,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_charmm.txt b/doc/src/dihedral_charmm.txt index 0420c55ce9e049d0350c4384bb74e3415eac9286..bb8131c3bedf723fc79299f65b6ea5dddfb48e36 100644 --- a/doc/src/dihedral_charmm.txt +++ b/doc/src/dihedral_charmm.txt @@ -70,7 +70,7 @@ need any 1-4 information. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -78,9 +78,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_class2.txt b/doc/src/dihedral_class2.txt index 6f918811260371482fb7b9ac1cbcd6f94f975f53..e5431f55575275e62eb84db938d4c1c4f4b667fc 100644 --- a/doc/src/dihedral_class2.txt +++ b/doc/src/dihedral_class2.txt @@ -137,7 +137,7 @@ r3 (distance) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -145,9 +145,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_cosine_shift_exp.txt b/doc/src/dihedral_cosine_shift_exp.txt index 1db6060946c4b8b74ddbd8eccd5919b155ab0672..b4c8351d6d7b0382f0e11f6c678ad16f5c1fc273 100644 --- a/doc/src/dihedral_cosine_shift_exp.txt +++ b/doc/src/dihedral_cosine_shift_exp.txt @@ -49,7 +49,7 @@ A (real number) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -57,9 +57,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_fourier.txt b/doc/src/dihedral_fourier.txt index 47cff75828996458fed9dfebf4bcb85247b098a8..5cda91fe48cf6bb453e79f9b1ddc6cf3e26982f9 100644 --- a/doc/src/dihedral_fourier.txt +++ b/doc/src/dihedral_fourier.txt @@ -40,7 +40,7 @@ dm (degrees) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -48,9 +48,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_harmonic.txt b/doc/src/dihedral_harmonic.txt index 6651687bbe1c3fa080c74e440106e92006ae5b84..ac124ffd48dc528d0ab5f61d9fd14e71dcf3771d 100644 --- a/doc/src/dihedral_harmonic.txt +++ b/doc/src/dihedral_harmonic.txt @@ -49,7 +49,7 @@ Some force fields let {n} be positive or negative which corresponds to :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -57,9 +57,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_helix.txt b/doc/src/dihedral_helix.txt index da9fece8452a3552ced03589c3e13142abf471d4..573d9f14d472df3663dd511b3e9a79061c2d3269 100644 --- a/doc/src/dihedral_helix.txt +++ b/doc/src/dihedral_helix.txt @@ -43,7 +43,7 @@ C (energy) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -51,9 +51,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_multi_harmonic.txt b/doc/src/dihedral_multi_harmonic.txt index ddb9af407b3d91b5a26e7fd8644dee4a925ffa21..c2de676a966122e39786405c56dd17d82b4db962 100644 --- a/doc/src/dihedral_multi_harmonic.txt +++ b/doc/src/dihedral_multi_harmonic.txt @@ -37,7 +37,7 @@ A5 (energy) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -45,9 +45,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_nharmonic.txt b/doc/src/dihedral_nharmonic.txt index c0c8e9ddef97d7765a9348e9b5dc2c1612363527..cd614ae907bf47cda2b39f387127edf5812fb70b 100644 --- a/doc/src/dihedral_nharmonic.txt +++ b/doc/src/dihedral_nharmonic.txt @@ -37,7 +37,7 @@ An (energy) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -45,9 +45,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_opls.txt b/doc/src/dihedral_opls.txt index f885102dcb5c1c0c99d6ebc7c5edb2ec33d7f81f..b5e8da93a88b0006f4a20891422cb3e3b9f72e44 100644 --- a/doc/src/dihedral_opls.txt +++ b/doc/src/dihedral_opls.txt @@ -45,7 +45,7 @@ K4 (energy) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -53,9 +53,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_quadratic.txt b/doc/src/dihedral_quadratic.txt index 8aba2ea0cb2c86ceb0e44264e6093cbf33d3fa7f..ce018e2b0ec9384e2445897b66cc807c1cceec66 100644 --- a/doc/src/dihedral_quadratic.txt +++ b/doc/src/dihedral_quadratic.txt @@ -38,7 +38,7 @@ phi0 (degrees) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -46,9 +46,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/dihedral_table.txt b/doc/src/dihedral_table.txt index 198a25fb23bdc7c45650fc30525ec576bab952e8..b19bf52319811e9f130805ed8fe95822f57c303c 100644 --- a/doc/src/dihedral_table.txt +++ b/doc/src/dihedral_table.txt @@ -171,7 +171,7 @@ that matches the specified keyword. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -179,9 +179,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_addforce.txt b/doc/src/fix_addforce.txt index 17d281b53e659a6cd295d7a6d1cce6a9996f5b66..9a9c71b3003d50e4e868f79678cbda0400e57b6e 100644 --- a/doc/src/fix_addforce.txt +++ b/doc/src/fix_addforce.txt @@ -7,7 +7,6 @@ :line fix addforce command :h3 -fix addforce/cuda command :h3 [Syntax:] @@ -104,15 +103,15 @@ converge properly. :line -Styles with a {cuda} suffix are functionally the same as the -corresponding style without the suffix. They have been optimized to -run faster, depending on your available hardware, as discussed in +Styles with a uffix are functionally the same as the corresponding +style without the suffix. They have been optimized to run faster, +depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA package. They are -only enabled if LAMMPS was built with that package. See the "Making +These accelerated styles are part of the ackage. They are only +enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_aveforce.txt b/doc/src/fix_aveforce.txt index 2b8aff66182df6ed82e24916889a037f14cf8faf..00ba38aaf1f54e6a32f5cdda15c7a641b216de94 100644 --- a/doc/src/fix_aveforce.txt +++ b/doc/src/fix_aveforce.txt @@ -7,7 +7,6 @@ :line fix aveforce command :h3 -fix aveforce/cuda command :h3 [Syntax:] @@ -64,15 +63,15 @@ to it. :line -Styles with a {cuda} suffix are functionally the same as the -corresponding style without the suffix. They have been optimized to -run faster, depending on your available hardware, as discussed in +Styles with a uffix are functionally the same as the corresponding +style without the suffix. They have been optimized to run faster, +depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA package. They are -only enabled if LAMMPS was built with that package. See the "Making +These accelerated styles are part of the ackage. They are only +enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_deform.txt b/doc/src/fix_deform.txt index e2cbe148682d6b181b0fa12649e63851a31238b8..2f8644066454f76d655f527f6381c7fbd8fd132e 100644 --- a/doc/src/fix_deform.txt +++ b/doc/src/fix_deform.txt @@ -542,7 +542,7 @@ command if you want to include lattice spacings in a variable formula. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -550,9 +550,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_enforce2d.txt b/doc/src/fix_enforce2d.txt index 6a07e7ec5d40faf24ca641f5746c8b7bae116214..1a2f186bd5661b4b6b3afa9794a0efbe4ccf32aa 100644 --- a/doc/src/fix_enforce2d.txt +++ b/doc/src/fix_enforce2d.txt @@ -7,7 +7,6 @@ :line fix enforce2d command :h3 -fix enforce2d/cuda command :h3 [Syntax:] @@ -28,15 +27,15 @@ not move from their initial z coordinate. :line -Styles with a {cuda} suffix are functionally the same as the -corresponding style without the suffix. They have been optimized to -run faster, depending on your available hardware, as discussed in +Styles with a uffix are functionally the same as the corresponding +style without the suffix. They have been optimized to run faster, +depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA package. They are -only enabled if LAMMPS was built with that package. See the "Making +These accelerated styles are part of the ackage. They are only +enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_freeze.txt b/doc/src/fix_freeze.txt index da5f2c801a8c28040487f5f0d2631a75821f4686..63fff5ab9a55ab8af6555dcfbb9b085bca02c6e3 100644 --- a/doc/src/fix_freeze.txt +++ b/doc/src/fix_freeze.txt @@ -7,7 +7,6 @@ :line fix freeze command :h3 -fix freeze/cuda command :h3 [Syntax:] @@ -32,15 +31,15 @@ using "fix setforce"_fix_setforce.html. :line -Styles with a {cuda} suffix are functionally the same as the -corresponding style without the suffix. They have been optimized to -run faster, depending on your available hardware, as discussed in +Styles with a uffix are functionally the same as the corresponding +style without the suffix. They have been optimized to run faster, +depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA package. They are -only enabled if LAMMPS was built with that package. See the "Making +These accelerated styles are part of the ackage. They are only +enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_gravity.txt b/doc/src/fix_gravity.txt index 0e07e6a72edbbeaa9fb0be7d30b13840aabb750e..a1c1895a82cc12e3a4965193c629cddb2d8f2f3c 100644 --- a/doc/src/fix_gravity.txt +++ b/doc/src/fix_gravity.txt @@ -7,7 +7,6 @@ :line fix gravity command :h3 -fix gravity/cuda command :h3 fix gravity/omp command :h3 [Syntax:] @@ -88,7 +87,7 @@ field. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -96,9 +95,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_langevin.txt b/doc/src/fix_langevin.txt index 8b86d763a39aad69beca3762be3962ee79f1034f..8d0011d8ffaafd23a382190c163f626dbc9f1dd1 100644 --- a/doc/src/fix_langevin.txt +++ b/doc/src/fix_langevin.txt @@ -261,7 +261,7 @@ generates an average temperature of 220 K, instead of 300 K. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -269,9 +269,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nh.txt b/doc/src/fix_nh.txt index 0537bba3b2abd6733fc37631be2b5ea602ad5151..94435a38f470ddf9610e92a4290558eb36e40f29 100644 --- a/doc/src/fix_nh.txt +++ b/doc/src/fix_nh.txt @@ -7,12 +7,10 @@ :line fix nvt command :h3 -fix nvt/cuda command :h3 fix nvt/intel command :h3 fix nvt/kk command :h3 fix nvt/omp command :h3 fix npt command :h3 -fix npt/cuda command :h3 fix npt/intel command :h3 fix npt/kk command :h3 fix npt/omp command :h3 @@ -481,7 +479,7 @@ the various ways to do this. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -489,9 +487,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nph_asphere.txt b/doc/src/fix_nph_asphere.txt index ca690ace3ecf9c1c18449634ae42c25ddc3da792..897796240235e69d8044978f94cfcfd9a12b3ea8 100755 --- a/doc/src/fix_nph_asphere.txt +++ b/doc/src/fix_nph_asphere.txt @@ -78,7 +78,7 @@ It also means that changing attributes of {thermo_temp} or :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -86,9 +86,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nph_body.txt b/doc/src/fix_nph_body.txt index 41fe32dded77aa9cf54af11ecd3c5296c4f931be..71dd4c607c5da6c8bdc614bf3286ab0bb289561a 100755 --- a/doc/src/fix_nph_body.txt +++ b/doc/src/fix_nph_body.txt @@ -77,7 +77,7 @@ It also means that changing attributes of {thermo_temp} or :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -85,9 +85,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nph_sphere.txt b/doc/src/fix_nph_sphere.txt index 264f86bc5acb8edbdf5f672e7c755839b331952b..85df2ee7aa4c3f5de42af729daa78d97e77a344b 100755 --- a/doc/src/fix_nph_sphere.txt +++ b/doc/src/fix_nph_sphere.txt @@ -78,7 +78,7 @@ It also means that changing attributes of {thermo_temp} or :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -86,9 +86,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nphug.txt b/doc/src/fix_nphug.txt index 4e274c8d5ce0cedec209cc7780b2608037935d35..7b499b8b3c1dea468c166a21354fcbcf5cf8c6bf 100644 --- a/doc/src/fix_nphug.txt +++ b/doc/src/fix_nphug.txt @@ -137,7 +137,7 @@ It also means that changing attributes of {thermo_temp} or :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -145,9 +145,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_npt_asphere.txt b/doc/src/fix_npt_asphere.txt index ec089427ec5c5fa9a6579205ddfd1f197f61dd6b..4c39a5ccd55665edc52bdb32af0b2ef4a82b92a5 100755 --- a/doc/src/fix_npt_asphere.txt +++ b/doc/src/fix_npt_asphere.txt @@ -102,7 +102,7 @@ thermal degrees of freedom, and the bias is added back in. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -110,9 +110,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_npt_body.txt b/doc/src/fix_npt_body.txt index 4ab021c723a3b68555e8730cefa2ce8c9ac474e0..db5052fa8a862be0c586c78c91d92908636e3426 100755 --- a/doc/src/fix_npt_body.txt +++ b/doc/src/fix_npt_body.txt @@ -101,7 +101,7 @@ thermal degrees of freedom, and the bias is added back in. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -109,9 +109,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_npt_sphere.txt b/doc/src/fix_npt_sphere.txt index 44ecf1aaf3402af6403e0bf39cee46919138a480..447e51fc4d01fffc44009f26c85e7b3565e172f3 100755 --- a/doc/src/fix_npt_sphere.txt +++ b/doc/src/fix_npt_sphere.txt @@ -101,7 +101,7 @@ thermal degrees of freedom, and the bias is added back in. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -109,9 +109,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nve.txt b/doc/src/fix_nve.txt index 0ca3d6c60e894f05b0ca16ca30e2df1a139e2519..3dda010e7882d0fc8699243a37a5604c2e79739e 100644 --- a/doc/src/fix_nve.txt +++ b/doc/src/fix_nve.txt @@ -7,7 +7,6 @@ :line fix nve command :h3 -fix nve/cuda command :h3 fix nve/intel command :h3 fix nve/kk command :h3 fix nve/omp command :h3 @@ -32,7 +31,7 @@ ensemble. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -40,9 +39,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nve_asphere.txt b/doc/src/fix_nve_asphere.txt index c9eef361d240e009d04d5b36b7cf20d4358aa7e8..f43ff23d044ce96e53ef5b623b60184b3506fcf9 100755 --- a/doc/src/fix_nve_asphere.txt +++ b/doc/src/fix_nve_asphere.txt @@ -42,7 +42,7 @@ This fix is not invoked during "energy minimization"_minimize.html. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -50,9 +50,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nve_sphere.txt b/doc/src/fix_nve_sphere.txt index cdc7eced34ed1df28454bcc39fb801145f125726..c797cc8ddbfad6b3be0bb1b60331dd462cbd3565 100755 --- a/doc/src/fix_nve_sphere.txt +++ b/doc/src/fix_nve_sphere.txt @@ -45,7 +45,7 @@ dipole"_atom_style.html command. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -53,9 +53,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nvt_asphere.txt b/doc/src/fix_nvt_asphere.txt index 4784d767beb535b2a0b9a55333ac1a488d1d91aa..316320a0e2be4caf4e33878d7021d010295a0669 100755 --- a/doc/src/fix_nvt_asphere.txt +++ b/doc/src/fix_nvt_asphere.txt @@ -83,7 +83,7 @@ thermal degrees of freedom, and the bias is added back in. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -91,9 +91,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nvt_body.txt b/doc/src/fix_nvt_body.txt index 954da870f42f8df17dfe7f7b5ae827d958691d4e..de570d0a225ca9a41ddb8b286ee8c1e59aa82544 100755 --- a/doc/src/fix_nvt_body.txt +++ b/doc/src/fix_nvt_body.txt @@ -82,7 +82,7 @@ thermal degrees of freedom, and the bias is added back in. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -90,9 +90,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nvt_sllod.txt b/doc/src/fix_nvt_sllod.txt index dac39d2a3d529c609c1091c17be62e48380bdd1e..edd58f0ed504e3a6763d3ae38eaf975de5042484 100644 --- a/doc/src/fix_nvt_sllod.txt +++ b/doc/src/fix_nvt_sllod.txt @@ -106,7 +106,7 @@ thermal degrees of freedom, and the bias is added back in. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -114,9 +114,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_nvt_sphere.txt b/doc/src/fix_nvt_sphere.txt index 83b3ceaf0d1edcd6f12453f11fc7ce2950999b9d..99effb9211097a4f7c9da5034854e5d14fd6ff0d 100755 --- a/doc/src/fix_nvt_sphere.txt +++ b/doc/src/fix_nvt_sphere.txt @@ -83,7 +83,7 @@ thermal degrees of freedom, and the bias is added back in. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -91,9 +91,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_qeq_comb.txt b/doc/src/fix_qeq_comb.txt index 690be91d95a1561c575e52c790ab52b06bec74ce..a697008fabc29f60a96124e716ab609c194c0453 100644 --- a/doc/src/fix_qeq_comb.txt +++ b/doc/src/fix_qeq_comb.txt @@ -59,7 +59,7 @@ equilibration calculation is written to the specifed file. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -67,9 +67,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_rigid.txt b/doc/src/fix_rigid.txt index 1f45a4580aa13c2980b98467c72b7688c0c6ae90..6ddce4f8e589f92444d1124b2e097845203a7cbc 100644 --- a/doc/src/fix_rigid.txt +++ b/doc/src/fix_rigid.txt @@ -632,7 +632,7 @@ rigid/nvt. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -640,9 +640,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_setforce.txt b/doc/src/fix_setforce.txt index f5bbf606c7700377af4a69192ffb045b4fa4a5e1..0b151cbabd9ef484084f633d146f2612910e11a1 100644 --- a/doc/src/fix_setforce.txt +++ b/doc/src/fix_setforce.txt @@ -7,7 +7,6 @@ :line fix setforce command :h3 -fix setforce/cuda command :h3 fix setforce/kk command :h3 [Syntax:] @@ -66,7 +65,7 @@ to it. :line -Styles with a {cuda} or {kk} suffix are functionally the same as the +Styles with a r {kk} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html of the manual. The @@ -74,10 +73,10 @@ accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. The region keyword is also supported by Kokkos, but a Kokkos-enabled -region must be used. See the region "region"_region.html command for more -information. +region must be used. See the region "region"_region.html command for +more information. -These accelerated styles are part of the USER-CUDA or Kokkos package. They are +These accelerated styles are part of the r Kokkos package. They are only enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. diff --git a/doc/src/fix_shake.txt b/doc/src/fix_shake.txt index d970e6cefaa17062a272fd2edb29d1cc6354673e..69cdb3c12c50d523991ba1728c1b3cfb3ae48880 100644 --- a/doc/src/fix_shake.txt +++ b/doc/src/fix_shake.txt @@ -7,7 +7,6 @@ :line fix shake command :h3 -fix shake/cuda command :h3 fix rattle command :h3 [Syntax:] @@ -146,15 +145,15 @@ info of atoms in the molecule. :line -Styles with a {cuda} suffix are functionally the same as the -corresponding style without the suffix. They have been optimized to -run faster, depending on your available hardware, as discussed in +Styles with a uffix are functionally the same as the corresponding +style without the suffix. They have been optimized to run faster, +depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA package. They are -only enabled if LAMMPS was built with that package. See the "Making +These accelerated styles are part of the ackage. They are only +enabled if LAMMPS was built with that package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/fix_temp_berendsen.txt b/doc/src/fix_temp_berendsen.txt index 6aab8cebac646dd8730baf00b2189c325609b11a..202be8921fa438a7b1e294d2b8903c96d97a8b95 100644 --- a/doc/src/fix_temp_berendsen.txt +++ b/doc/src/fix_temp_berendsen.txt @@ -7,7 +7,6 @@ :line fix temp/berendsen command :h3 -fix temp/berendsen/cuda command :h3 [Syntax:] @@ -105,27 +104,6 @@ thermal degrees of freedom, and the bias is added back in. :line -Styles with a {cuda} suffix are functionally the same as the -corresponding style without the suffix. They have been optimized to -run faster, depending on your available hardware, as discussed in -"Section_accelerate"_Section_accelerate.html of the manual. The -accelerated styles take the same arguments and should produce the same -results, except for round-off and precision issues. - -These accelerated styles are part of the USER-CUDA package. They are -only enabled if LAMMPS was built with that package. See the "Making -LAMMPS"_Section_start.html#start_3 section for more info. - -You can specify the accelerated styles explicitly in your input script -by including their suffix, or you can use the "-suffix command-line -switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can -use the "suffix"_suffix.html command in your input script. - -See "Section_accelerate"_Section_accelerate.html of the manual for -more instructions on how to use the accelerated styles effectively. - -:line - [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/src/fix_temp_rescale.txt b/doc/src/fix_temp_rescale.txt index 83ba39fd8f849d1414c13bf00cad91cd47e50090..4f8f216ce4515183b000efe9057f7db3e3d845c4 100644 --- a/doc/src/fix_temp_rescale.txt +++ b/doc/src/fix_temp_rescale.txt @@ -7,8 +7,6 @@ :line fix temp/rescale command :h3 -fix temp/rescale/cuda command :h3 -fix temp/rescale/limit/cuda command :h3 [Syntax:] @@ -113,27 +111,6 @@ thermal degrees of freedom, and the bias is added back in. :line -Styles with a {cuda} suffix are functionally the same as the -corresponding style without the suffix. They have been optimized to -run faster, depending on your available hardware, as discussed in -"Section_accelerate"_Section_accelerate.html of the manual. The -accelerated styles take the same arguments and should produce the same -results, except for round-off and precision issues. - -These accelerated styles are part of the USER-CUDA package. They are -only enabled if LAMMPS was built with that package. See the "Making -LAMMPS"_Section_start.html#start_3 section for more info. - -You can specify the accelerated styles explicitly in your input script -by including their suffix, or you can use the "-suffix command-line -switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can -use the "suffix"_suffix.html command in your input script. - -See "Section_accelerate"_Section_accelerate.html of the manual for -more instructions on how to use the accelerated styles effectively. - -:line - [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/src/fix_viscous.txt b/doc/src/fix_viscous.txt index ab54f81d5adca9cdf9007987352aa4fdcd7d2ba2..3993b897a1e3d5e966b848047bb407bb2665fa2f 100644 --- a/doc/src/fix_viscous.txt +++ b/doc/src/fix_viscous.txt @@ -7,7 +7,6 @@ :line fix viscous command :h3 -fix viscous/cuda command :h3 [Syntax:] @@ -78,27 +77,6 @@ easily be used as a thermostat. :line -Styles with a {cuda} suffix are functionally the same as the -corresponding style without the suffix. They have been optimized to -run faster, depending on your available hardware, as discussed in -"Section_accelerate"_Section_accelerate.html of the manual. The -accelerated styles take the same arguments and should produce the same -results, except for round-off and precision issues. - -These accelerated styles are part of the USER-CUDA package. They are -only enabled if LAMMPS was built with that package. See the "Making -LAMMPS"_Section_start.html#start_3 section for more info. - -You can specify the accelerated styles explicitly in your input script -by including their suffix, or you can use the "-suffix command-line -switch"_Section_start.html#start_7 when you invoke LAMMPS, or you can -use the "suffix"_suffix.html command in your input script. - -See "Section_accelerate"_Section_accelerate.html of the manual for -more instructions on how to use the accelerated styles effectively. - -:line - [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart diff --git a/doc/src/fix_wall_reflect.txt b/doc/src/fix_wall_reflect.txt index 32206a66d527b65de7e9f1dbb065f8ab98c81e6f..d87326f4b8ed8a23b0c7e3889b97a22783edaff9 100644 --- a/doc/src/fix_wall_reflect.txt +++ b/doc/src/fix_wall_reflect.txt @@ -127,7 +127,7 @@ position = c0 + A (1 - cos(omega*delta)) :pre :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -135,9 +135,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/improper_class2.txt b/doc/src/improper_class2.txt index 890e15f04af4bb70294ab42eed0afb5170eb51a4..249beaf219618a25677821c04922bd0d96cea8f9 100644 --- a/doc/src/improper_class2.txt +++ b/doc/src/improper_class2.txt @@ -83,7 +83,7 @@ radians internally; hence the units of M are in energy/radian^2. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -91,9 +91,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/improper_cossq.txt b/doc/src/improper_cossq.txt index 9686c621da448457cd271b45db65f9aabed8dfb8..551e137fd8fe615b145a18ceb4d86e6f2535abe3 100644 --- a/doc/src/improper_cossq.txt +++ b/doc/src/improper_cossq.txt @@ -53,7 +53,7 @@ internally; hence the units of K are in energy/radian^2. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -61,9 +61,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/improper_cvff.txt b/doc/src/improper_cvff.txt index 9f47d928de08b786730975ab060c089261968753..4f82d90e7dca631c054bc0327451651f934ed91a 100644 --- a/doc/src/improper_cvff.txt +++ b/doc/src/improper_cvff.txt @@ -51,7 +51,7 @@ n (0,1,2,3,4,6) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -59,9 +59,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/improper_fourier.txt b/doc/src/improper_fourier.txt index 586ffe0b03c9c3ef75a0e7ae2338a2f707bc473e..a5a42647f814d19c6fae033fd598cde7b6446595 100644 --- a/doc/src/improper_fourier.txt +++ b/doc/src/improper_fourier.txt @@ -45,7 +45,7 @@ all (integer >= 0) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -53,9 +53,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/improper_harmonic.txt b/doc/src/improper_harmonic.txt index 8663465de64ad3f68fd07f7288b2da2d4ef62710..7aa38292800fe531b91eddaa49e65854bb7e9d51 100644 --- a/doc/src/improper_harmonic.txt +++ b/doc/src/improper_harmonic.txt @@ -55,7 +55,7 @@ internally; hence the units of K are in energy/radian^2. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -63,9 +63,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/improper_ring.txt b/doc/src/improper_ring.txt index 8968769a2690bd3d19003a52cd403375f93401c1..a9399802e93429e44354823d40ddd1a44ba71065 100644 --- a/doc/src/improper_ring.txt +++ b/doc/src/improper_ring.txt @@ -57,7 +57,7 @@ internally; hence the units of K are in energy/radian^2. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -65,9 +65,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/improper_umbrella.txt b/doc/src/improper_umbrella.txt index f54c24482a61a70a9dacc0362cbec5917032bb6c..dbb6c3f237a070ad7258348f955b782f2f140fb7 100644 --- a/doc/src/improper_umbrella.txt +++ b/doc/src/improper_umbrella.txt @@ -48,7 +48,7 @@ omega0 (degrees) :ul :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -56,9 +56,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/kspace_style.txt b/doc/src/kspace_style.txt index 477a4f5ce926942b4224e8a6f105de147b937403..ac713ba2974f2a837e4aee6cf91252629bdbf60a 100644 --- a/doc/src/kspace_style.txt +++ b/doc/src/kspace_style.txt @@ -253,7 +253,7 @@ relative RMS error. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -271,7 +271,7 @@ calculation can be performed concurrently on the GPU while other calculations for non-bonded and bonded force calculation are performed on the CPU. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, USER-OMP, and OPT packages respectively. They are only enabled if LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. @@ -285,10 +285,10 @@ Note that the long-range electrostatic solvers in LAMMPS assume conducting metal (tinfoil) boundary conditions for both charge and dipole interactions. Vacuum boundary conditions are not currently supported. -The {ewald/disp}, {ewald}, {pppm}, and {msm} styles support -non-orthogonal (triclinic symmetry) simulation boxes. However, triclinic -simulation cells may not yet be supported by suffix versions of these -styles (such as {pppm/cuda}). +The {ewald/disp}, {ewald}, {pppm}, and {msm} styles support +non-orthogonal (triclinic symmetry) simulation boxes. However, +triclinic simulation cells may not yet be supported by suffix versions +of these styles. All of the kspace styles are part of the KSPACE package. They are only enabled if LAMMPS was built with that package. See the "Making diff --git a/doc/src/package.txt b/doc/src/package.txt index df7e01bf4797ff127b79eccd832e678c4dfa2564..e6ea31ca39e64b8169d760a985c3f041609b230c 100644 --- a/doc/src/package.txt +++ b/doc/src/package.txt @@ -12,24 +12,8 @@ package command :h3 package style args :pre -style = {cuda} or {gpu} or {intel} or {kokkos} or {omp} :ulb,l +style = {gpu} or {intel} or {kokkos} or {omp} :ulb,l args = arguments specific to the style :l - {cuda} args = Ngpu keyword value ... - Ngpu = # of GPUs per node - zero or more keyword/value pairs may be appended - keywords = {newton} or {gpuID} or {timing} or {test} or {thread} - {newton} = {off} or {on} - off = set Newton pairwise and bonded flags off (default) - on = set Newton pairwise and bonded flags on - {gpuID} values = gpu1 .. gpuN - gpu1 .. gpuN = IDs of the Ngpu GPUs to use - {timing} values = none - {test} values = id - id = atom-ID of a test particle - {thread} = auto or tpa or bpa - auto = test whether tpa or bpa is faster - tpa = one thread per atom - bpa = one block per atom {gpu} args = Ngpu keyword value ... Ngpu = # of GPUs per node zero or more keyword/value pairs may be appended @@ -107,8 +91,6 @@ args = arguments specific to the style :l package gpu 1 package gpu 1 split 0.75 package gpu 2 split -1.0 -package cuda 2 gpuID 0 2 -package cuda 1 test 3948 package kokkos neigh half comm device package omp 0 neigh no package omp 4 @@ -119,8 +101,8 @@ package intel 2 omp 4 mode mixed balance 0.5 :pre This command invokes package-specific settings for the various accelerator packages available in LAMMPS. Currently the following -packages use settings from this command: USER-CUDA, GPU, USER-INTEL, -KOKKOS, and USER-OMP. +packages use settings from this command: GPU, USER-INTEL, KOKKOS, and +USER-OMP. If this command is specified in an input script, it must be near the top of the script, before the simulation box has been defined. This @@ -139,10 +121,9 @@ without using it in a particular simulation). However, in all cases, a default version of the command is typically invoked by other accelerator settings. -The USER-CUDA and KOKKOS packages require a "-c on" or "-k on" -"command-line switch"_Section_start.html#start_7 respectively, which -invokes a "package cuda" or "package kokkos" command with default -settings. +The KOKKOS package requires a "-k on" "command-line +switch"_Section_start.html#start_7 respectively, which invokes a +"package kokkos" command with default settings. For the GPU, USER-INTEL, and USER-OMP packages, if a "-sf gpu" or "-sf intel" or "-sf omp" "command-line switch"_Section_start.html#start_7 @@ -164,62 +145,6 @@ for speeding up LAMMPS simulations. :line -The {cuda} style invokes settings associated with the use of the -USER-CUDA package. - -The {Ngpus} argument sets the number of GPUs per node. There must be -exactly one MPI task per GPU, as set by the mpirun or mpiexec command. - -Optional keyword/value pairs can also be specified. Each has a -default value as listed below. - -The {newton} keyword sets the Newton flags for pairwise and bonded -interactions to {off} or {on}, the same as the "newton"_newton.html -command allows. The default is {off} because this will almost always -give better performance for the USER-CUDA package. This means -more computation is done, but less communication. - -The {gpuID} keyword allows selection of which GPUs on each node will -be used for a simulation. GPU IDs range from 0 to N-1 where N is the -physical number of GPUs/node. An ID is specified for each of the -Ngpus being used. For example if you have three GPUs on a machine, -one of which is used for the X-Server (the GPU with the ID 1) while -the others (with IDs 0 and 2) are used for computations you would -specify: - -package cuda 2 gpuID 0 2 :pre - -The purpose of the {gpuID} keyword is to allow two (or more) -simulations to be run on one workstation. In that case one could set -the first simulation to use GPU 0 and the second to use GPU 1. This is -not necessary however, if the GPUs are in what is called {compute -exclusive} mode. Using that setting, every process will get its own -GPU automatically. This {compute exclusive} mode can be set as root -using the {nvidia-smi} tool which is part of the CUDA installation. - -Also note that if the {gpuID} keyword is not used, the USER-CUDA -package sorts existing GPUs on each node according to their number of -multiprocessors. This way, compute GPUs will be priorized over -X-Server GPUs. - -If the {timing} keyword is specified, detailed timing information for -various subroutines will be output. - -If the {test} keyword is specified, information for the specified atom -with atom-ID will be output at several points during each timestep. -This is mainly usefull for debugging purposes. Note that the -simulation slow down dramatically if this option is used. - -The {thread} keyword can be used to specify how GPU threads are -assigned work during pair style force evaluation. If the value = -{tpa}, one thread per atom is used. If the value = {bpa}, one block -per atom is used. If the value = {auto}, a short test is performed at -the beginning of each run to determing where {tpa} or {bpa} mode is -faster. The result of this test is output. Since {auto} is the -default value, it is usually not necessary to use this keyword. - -:line - The {gpu} style invokes settings associated with the use of the GPU package. @@ -594,10 +519,6 @@ within its own pages. This command cannot be used after the simulation box is defined by a "read_data"_read_data.html or "create_box"_create_box.html command. -The cuda style of this command can only be invoked if LAMMPS was built -with the USER-CUDA package. See the "Making -LAMMPS"_Section_start.html#start_3 section for more info. - The gpu style of this command can only be invoked if LAMMPS was built with the GPU package. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. @@ -621,14 +542,6 @@ setting"_Section_start.html#start_7 [Default:] -For the USER-CUDA package, the default is Ngpu = 1 and the option -defaults are newton = off, gpuID = 0 to Ngpu-1, timing = not enabled, -test = not enabled, and thread = auto. These settings are made -automatically by the required "-c on" "command-line -switch"_Section_start.html#start_7. You can change them bu using the -package cuda command in your input script or via the "-pk cuda" -"command-line switch"_Section_start.html#start_7. - For the GPU package, the default is Ngpu = 1 and the option defaults are neigh = yes, newton = off, binsize = 0.0, split = 1.0, gpuID = 0 to Ngpu-1, tpa = 1, and device = not used. These settings are made diff --git a/doc/src/pair_adp.txt b/doc/src/pair_adp.txt index be55f54b54598d45fcbbe0f4cd80a6ae24dd35be..f9cf0940d614ff49be9e3ce26a2b067ede199e24 100644 --- a/doc/src/pair_adp.txt +++ b/doc/src/pair_adp.txt @@ -122,7 +122,7 @@ array tabulated with a scaling by r. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -130,9 +130,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_airebo.txt b/doc/src/pair_airebo.txt index aa3334c58be73ca48e8f2918ba4c1f17009d1694..90764bb2232305b1050154e55596179925b074cb 100644 --- a/doc/src/pair_airebo.txt +++ b/doc/src/pair_airebo.txt @@ -145,7 +145,7 @@ AIREBO-M Morse potentials were parameterized using a cutoff of :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -153,9 +153,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_beck.txt b/doc/src/pair_beck.txt index 1b2309ef70ed1bd70be2fd7c1ebbc4756cd3f1f8..0c1b1f67f2cc7cd58d948b701688ee2c183073c3 100644 --- a/doc/src/pair_beck.txt +++ b/doc/src/pair_beck.txt @@ -48,7 +48,7 @@ Rc is used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -56,9 +56,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_born.txt b/doc/src/pair_born.txt index 8da606f9da511efb19818959554f7a4281f6d6ab..265571e15ffc56606df5b3effdfd31721e842717 100644 --- a/doc/src/pair_born.txt +++ b/doc/src/pair_born.txt @@ -12,7 +12,6 @@ pair_style born/omp command :h3 pair_style born/gpu command :h3 pair_style born/coul/long command :h3 pair_style born/coul/long/cs command :h3 -pair_style born/coul/long/cuda command :h3 pair_style born/coul/long/gpu command :h3 pair_style born/coul/long/omp command :h3 pair_style born/coul/msm command :h3 @@ -123,7 +122,7 @@ same global Coulombic cutoff specified in the pair_style command. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -131,9 +130,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_brownian.txt b/doc/src/pair_brownian.txt index b79a11040cfaf922864ac107cccfd7c6f5bf4c97..7e96336d52d25e8d671b1cdf1c46f528e721edbd 100644 --- a/doc/src/pair_brownian.txt +++ b/doc/src/pair_brownian.txt @@ -71,16 +71,16 @@ must be specified. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "this section"_Section_accelerate.html of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_buck.txt b/doc/src/pair_buck.txt index 90e5232355f5b004bfdfd3002092a3684a373571..8967e64c4cdef5e998a2a242bf4089a9616bb524 100644 --- a/doc/src/pair_buck.txt +++ b/doc/src/pair_buck.txt @@ -7,20 +7,17 @@ :line pair_style buck command :h3 -pair_style buck/cuda command :h3 pair_style buck/gpu command :h3 pair_style buck/intel command :h3 pair_style buck/kk command :h3 pair_style buck/omp command :h3 pair_style buck/coul/cut command :h3 -pair_style buck/coul/cut/cuda command :h3 pair_style buck/coul/cut/gpu command :h3 pair_style buck/coul/cut/intel command :h3 pair_style buck/coul/cut/kk command :h3 pair_style buck/coul/cut/omp command :h3 pair_style buck/coul/long command :h3 pair_style buck/coul/long/cs command :h3 -pair_style buck/coul/long/cuda command :h3 pair_style buck/coul/long/gpu command :h3 pair_style buck/coul/long/intel command :h3 pair_style buck/coul/long/kk command :h3 @@ -138,7 +135,7 @@ pair_style command. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -146,9 +143,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_buck_long.txt b/doc/src/pair_buck_long.txt index 3a527474160c9f658c033376144605d5482a77c5..aad5bdb0fede2240803bedaf6ebe0481347d7650 100644 --- a/doc/src/pair_buck_long.txt +++ b/doc/src/pair_buck_long.txt @@ -98,7 +98,7 @@ global Coulombic cutoff is allowed. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -106,9 +106,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_charmm.txt b/doc/src/pair_charmm.txt index 3c0cc94bccb4fc77d8d0e4ac945495cdf74fdcfa..05baa9c026fd9bfda53dae70fdeceefd16232dc9 100644 --- a/doc/src/pair_charmm.txt +++ b/doc/src/pair_charmm.txt @@ -7,13 +7,10 @@ :line pair_style lj/charmm/coul/charmm command :h3 -pair_style lj/charmm/coul/charmm/cuda command :h3 pair_style lj/charmm/coul/charmm/omp command :h3 pair_style lj/charmm/coul/charmm/implicit command :h3 -pair_style lj/charmm/coul/charmm/implicit/cuda command :h3 pair_style lj/charmm/coul/charmm/implicit/omp command :h3 pair_style lj/charmm/coul/long command :h3 -pair_style lj/charmm/coul/long/cuda command :h3 pair_style lj/charmm/coul/long/gpu command :h3 pair_style lj/charmm/coul/long/intel command :h3 pair_style lj/charmm/coul/long/opt command :h3 @@ -120,7 +117,7 @@ the pair_style command. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -128,9 +125,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_class2.txt b/doc/src/pair_class2.txt index 457d34f658b1263defaf255eff4bc33230ef1ee2..1c84b359606920412a741119623bc8af61e2857e 100644 --- a/doc/src/pair_class2.txt +++ b/doc/src/pair_class2.txt @@ -7,16 +7,13 @@ :line pair_style lj/class2 command :h3 -pair_style lj/class2/cuda command :h3 pair_style lj/class2/gpu command :h3 pair_style lj/class2/kk command :h3 pair_style lj/class2/omp command :h3 pair_style lj/class2/coul/cut command :h3 -pair_style lj/class2/coul/cut/cuda command :h3 pair_style lj/class2/coul/cut/kk command :h3 pair_style lj/class2/coul/cut/omp command :h3 pair_style lj/class2/coul/long command :h3 -pair_style lj/class2/coul/long/cuda command :h3 pair_style lj/class2/coul/long/gpu command :h3 pair_style lj/class2/coul/long/kk command :h3 pair_style lj/class2/coul/long/omp command :h3 @@ -102,7 +99,7 @@ cutoff distance. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -110,9 +107,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_colloid.txt b/doc/src/pair_colloid.txt index 39b89e710ec3d75da5320f43d1ab7dbcae0302e0..cb43ec5c6e1496bc1e829f6718629ad2e2466471 100644 --- a/doc/src/pair_colloid.txt +++ b/doc/src/pair_colloid.txt @@ -124,7 +124,7 @@ commands for efficiency: "neighbor multi"_neighbor.html and :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -132,9 +132,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_comb.txt b/doc/src/pair_comb.txt index 1e02078134e41c1728482f315bf5f75520d00054..423d2830d515d261e35ad23ebdae4e5e8a5f0b56 100644 --- a/doc/src/pair_comb.txt +++ b/doc/src/pair_comb.txt @@ -109,7 +109,7 @@ nor file {ffield.comb3} with style {comb}. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -117,9 +117,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_coul.txt b/doc/src/pair_coul.txt index 8de32dcf0d679faaeb6cddaf70b5ac2f52ec2950..8261e10f8d54f10ea47a54f7a65f1f98794f1338 100644 --- a/doc/src/pair_coul.txt +++ b/doc/src/pair_coul.txt @@ -259,7 +259,7 @@ command. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -267,9 +267,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_dipole.txt b/doc/src/pair_dipole.txt index 2d9babf2e1c036b3148170ad452297020225edb5..f8f5dbf87f8066afa46a79688558fa89a3a9adbc 100755 --- a/doc/src/pair_dipole.txt +++ b/doc/src/pair_dipole.txt @@ -172,7 +172,7 @@ type pair. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -180,9 +180,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_dpd.txt b/doc/src/pair_dpd.txt index dcfcf27d844a71950c8a7beec16a15fec21f9fd0..a9061f710a3e34b084baceeef79ef5d6acaee93d 100644 --- a/doc/src/pair_dpd.txt +++ b/doc/src/pair_dpd.txt @@ -106,7 +106,7 @@ random force. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -114,9 +114,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_eam.txt b/doc/src/pair_eam.txt index 02a68f17f5f917525fef13858277840b4c76eca7..9373f326fbb71a32afd06aa84e546f144c51e386 100644 --- a/doc/src/pair_eam.txt +++ b/doc/src/pair_eam.txt @@ -7,13 +7,11 @@ :line pair_style eam command :h3 -pair_style eam/cuda command :h3 pair_style eam/gpu command :h3 pair_style eam/kk command :h3 pair_style eam/omp command :h3 pair_style eam/opt command :h3 pair_style eam/alloy command :h3 -pair_style eam/alloy/cuda command :h3 pair_style eam/alloy/gpu command :h3 pair_style eam/alloy/kk command :h3 pair_style eam/alloy/omp command :h3 @@ -21,7 +19,6 @@ pair_style eam/alloy/opt command :h3 pair_style eam/cd command :h3 pair_style eam/cd/omp command :h3 pair_style eam/fs command :h3 -pair_style eam/fs/cuda command :h3 pair_style eam/fs/gpu command :h3 pair_style eam/fs/kk command :h3 pair_style eam/fs/omp command :h3 @@ -368,7 +365,7 @@ are listed. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -376,9 +373,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_edip.txt b/doc/src/pair_edip.txt index 58b2b1b9becdd9e60d213f1eb956dc3a5e155b09..33784afa332e786e85d3be3d31b6283a853db20d 100644 --- a/doc/src/pair_edip.txt +++ b/doc/src/pair_edip.txt @@ -101,7 +101,7 @@ the EDIP package. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -109,9 +109,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_eim.txt b/doc/src/pair_eim.txt index c5d2b7ac929a512dae215d57f10b611758580226..7fb757ab9a7dd9e7964df8594effde7715adcd1f 100644 --- a/doc/src/pair_eim.txt +++ b/doc/src/pair_eim.txt @@ -133,7 +133,7 @@ needs. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -141,9 +141,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_gauss.txt b/doc/src/pair_gauss.txt index 5d541b4854026ea4a1dbc5b1f0d5fd3e040c0d7a..b5bab5374db3d2ffafb4604d9c63185cf5a7c2a2 100644 --- a/doc/src/pair_gauss.txt +++ b/doc/src/pair_gauss.txt @@ -79,7 +79,7 @@ The global cutoff (r_c) specified in the pair_style command is used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -87,9 +87,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_gayberne.txt b/doc/src/pair_gayberne.txt index 5783a2ce913c4cf802fb43b4f35434fedd086eba..109f578549705ca881bd91b104068a2f9b9fbe50 100755 --- a/doc/src/pair_gayberne.txt +++ b/doc/src/pair_gayberne.txt @@ -130,7 +130,7 @@ pair_coeff sigma to 1.0 as well. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -138,9 +138,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_gran.txt b/doc/src/pair_gran.txt index deafa85f22e5aa8ffc1b796ca59752ca449f72d9..5ab7fb54fddf346d312e1db1ff76b7eb95ba7416 100644 --- a/doc/src/pair_gran.txt +++ b/doc/src/pair_gran.txt @@ -7,7 +7,6 @@ :line pair_style gran/hooke command :h3 -pair_style gran/cuda command :h3 pair_style gran/omp command :h3 pair_style gran/hooke/history command :h3 pair_style gran/hooke/history/omp command :h3 @@ -170,7 +169,7 @@ potential. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -178,9 +177,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_gromacs.txt b/doc/src/pair_gromacs.txt index 37bdf57d1352542fae220e665983bc96c014c232..47620cd044b65152127c17bc56d578a28731bc85 100644 --- a/doc/src/pair_gromacs.txt +++ b/doc/src/pair_gromacs.txt @@ -7,11 +7,9 @@ :line pair_style lj/gromacs command :h3 -pair_style lj/gromacs/cuda command :h3 pair_style lj/gromacs/gpu command :h3 pair_style lj/gromacs/omp command :h3 pair_style lj/gromacs/coul/gromacs command :h3 -pair_style lj/gromacs/coul/gromacs/cuda command :h3 pair_style lj/gromacs/coul/gromacs/omp command :h3 [Syntax:] @@ -90,7 +88,7 @@ cutoff(s) specified in the pair_style command. :line -Styles {intel}, {kk}, with a {cuda}, {gpu}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -98,9 +96,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_hbond_dreiding.txt b/doc/src/pair_hbond_dreiding.txt index f14d68d36eb4572781031e3cddf22b2af540f756..ce82e1c808b97ed0b629a93e2188ce6833b87ee6 100644 --- a/doc/src/pair_hbond_dreiding.txt +++ b/doc/src/pair_hbond_dreiding.txt @@ -163,7 +163,7 @@ optional parameters. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -171,9 +171,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_hybrid.txt b/doc/src/pair_hybrid.txt index 06fc95a8ed436987e4fd6734b5452ed1c13f661d..a5d316d25f531435007750f1a08e12b79854e485 100644 --- a/doc/src/pair_hybrid.txt +++ b/doc/src/pair_hybrid.txt @@ -305,19 +305,19 @@ off C/C interaction, i.e. by setting the appropriate coefficients to :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html of the manual. -Since the {hybrid} and {hybrid/overlay} styles delegate computation -to the individual sub-styles, the suffix versions of the {hybrid} -and {hybrid/overlay} styles are used to propagate the corresponding -suffix to all sub-styles, if those versions exist. Otherwise the +Since the {hybrid} and {hybrid/overlay} styles delegate computation to +the individual sub-styles, the suffix versions of the {hybrid} and +{hybrid/overlay} styles are used to propagate the corresponding suffix +to all sub-styles, if those versions exist. Otherwise the non-accelerated version will be used. -The individual accelerated sub-styles are part of the USER-CUDA, GPU, +The individual accelerated sub-styles are part of the GPU, USER-OMP and OPT packages, respectively. They are only enabled if LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. diff --git a/doc/src/pair_lj.txt b/doc/src/pair_lj.txt index e2810063dcd9bd04d7cf9691b889ed5f4d442d60..3f97c0b8cca67afeddbbd388368ed6939d343264 100644 --- a/doc/src/pair_lj.txt +++ b/doc/src/pair_lj.txt @@ -7,18 +7,15 @@ :line pair_style lj/cut command :h3 -pair_style lj/cut/cuda command :h3 pair_style lj/cut/gpu command :h3 pair_style lj/cut/intel command :h3 pair_style lj/cut/kk command :h3 pair_style lj/cut/opt command :h3 pair_style lj/cut/omp command :h3 pair_style lj/cut/coul/cut command :h3 -pair_style lj/cut/coul/cut/cuda command :h3 pair_style lj/cut/coul/cut/gpu command :h3 pair_style lj/cut/coul/cut/omp command :h3 pair_style lj/cut/coul/debye command :h3 -pair_style lj/cut/coul/debye/cuda command :h3 pair_style lj/cut/coul/debye/gpu command :h3 pair_style lj/cut/coul/debye/kk command :h3 pair_style lj/cut/coul/debye/omp command :h3 @@ -28,7 +25,6 @@ pair_style lj/cut/coul/dsf/kk command :h3 pair_style lj/cut/coul/dsf/omp command :h3 pair_style lj/cut/coul/long command :h3 pair_style lj/cut/coul/long/cs command :h3 -pair_style lj/cut/coul/long/cuda command :h3 pair_style lj/cut/coul/long/gpu command :h3 pair_style lj/cut/coul/long/intel command :h3 pair_style lj/cut/coul/long/opt command :h3 @@ -242,7 +238,7 @@ pair_style command. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -250,9 +246,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_lj96.txt b/doc/src/pair_lj96.txt index 2ecc55ee84ee37394b1a7f9ec255413d8041cada..42a670107a2e82148ac56f7c80c0b2726b1aa294 100644 --- a/doc/src/pair_lj96.txt +++ b/doc/src/pair_lj96.txt @@ -7,7 +7,6 @@ :line pair_style lj96/cut command :h3 -pair_style lj96/cut/cuda command :h3 pair_style lj96/cut/gpu command :h3 pair_style lj96/cut/omp command :h3 @@ -47,7 +46,7 @@ cutoff specified in the pair_style command is used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -55,9 +54,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_lj_cubic.txt b/doc/src/pair_lj_cubic.txt index ecf7ea583bb1206a8967db068ea21d09cc7ce1c1..f420b5ca872e83c01d1ed96349cf4a76cfae2759 100644 --- a/doc/src/pair_lj_cubic.txt +++ b/doc/src/pair_lj_cubic.txt @@ -60,7 +60,7 @@ located at rmin = 2^(1/6)*sigma. In the above example, sigma = :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -68,9 +68,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_lj_expand.txt b/doc/src/pair_lj_expand.txt index df639880d4495a9d2ae76344ee504fcf919c3c4b..aa0adad9432da2ac4419f15f992fde8eb68d32a8 100644 --- a/doc/src/pair_lj_expand.txt +++ b/doc/src/pair_lj_expand.txt @@ -7,7 +7,6 @@ :line pair_style lj/expand command :h3 -pair_style lj/expand/cuda command :h3 pair_style lj/expand/gpu command :h3 pair_style lj/expand/omp command :h3 @@ -51,7 +50,7 @@ optional. If not specified, the global LJ cutoff is used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -59,9 +58,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_lj_long.txt b/doc/src/pair_lj_long.txt index 438d2d1ac70cd41abee91b82eb640d2242e04dbd..dbb49e9afb1ce9d470fae193f270e6da4ef1904b 100644 --- a/doc/src/pair_lj_long.txt +++ b/doc/src/pair_lj_long.txt @@ -152,7 +152,7 @@ specified in the pair_style command. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -160,9 +160,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_lj_sf.txt b/doc/src/pair_lj_sf.txt index 2242815840bcd13d1bbd747e86afd21ce07f4a0c..f0e37fcbc455eff5a759d3578d7b832dc8e5499b 100644 --- a/doc/src/pair_lj_sf.txt +++ b/doc/src/pair_lj_sf.txt @@ -44,7 +44,7 @@ LJ cutoff specified in the pair_style command is used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -52,9 +52,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_lj_smooth.txt b/doc/src/pair_lj_smooth.txt index 1281293f9fe83af57d5a193f21091f1684e8f848..e26e5650d24164de10ff55ab27edaeb92b47a899 100644 --- a/doc/src/pair_lj_smooth.txt +++ b/doc/src/pair_lj_smooth.txt @@ -7,7 +7,6 @@ :line pair_style lj/smooth command :h3 -pair_style lj/smooth/cuda command :h3 pair_style lj/smooth/omp command :h3 [Syntax:] @@ -60,7 +59,7 @@ specified, the global values for Rin and Rc are used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -68,9 +67,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_lj_smooth_linear.txt b/doc/src/pair_lj_smooth_linear.txt index ad4ac44d032931ac2861ac81084f7d6a9559d988..63fb3ca163b9a59d22235769758cec94357623b0 100644 --- a/doc/src/pair_lj_smooth_linear.txt +++ b/doc/src/pair_lj_smooth_linear.txt @@ -46,7 +46,7 @@ for Rc is used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -54,9 +54,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_lj_soft.txt b/doc/src/pair_lj_soft.txt index 4384a5394cabe3473245ca7a53144c0082b1fa88..dc211c6be4aa9bec8d5c62fcd9ce714464c33707 100644 --- a/doc/src/pair_lj_soft.txt +++ b/doc/src/pair_lj_soft.txt @@ -203,7 +203,7 @@ directory tree, under examples/USER/fep. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -211,9 +211,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_lubricate.txt b/doc/src/pair_lubricate.txt index 909f09495222bc5ff3fcdbee875aa33d7ad4a8cb..5dbd7f4b80b0d482da2d9a53e67e3cf0e2dbe0df 100644 --- a/doc/src/pair_lubricate.txt +++ b/doc/src/pair_lubricate.txt @@ -140,16 +140,16 @@ must be specified. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "this section"_Section_accelerate.html of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_meam_spline.txt b/doc/src/pair_meam_spline.txt index b85b7c7c79d4cdfeb759f5f155b035f3bab7cbb3..c7aa5fbbc3e1bf1bed9cd09744e2af60aa1f859e 100644 --- a/doc/src/pair_meam_spline.txt +++ b/doc/src/pair_meam_spline.txt @@ -79,7 +79,7 @@ MEAM potentials. It may be extended for alloy systems in the future. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -87,9 +87,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_morse.txt b/doc/src/pair_morse.txt index 2e52e8dc34f1f86b928188dc741ffd96a72d14bc..41bfbd5a29167aec0a6d2244bbd52847e969f642 100644 --- a/doc/src/pair_morse.txt +++ b/doc/src/pair_morse.txt @@ -7,7 +7,6 @@ :line pair_style morse command :h3 -pair_style morse/cuda command :h3 pair_style morse/gpu command :h3 pair_style morse/omp command :h3 pair_style morse/opt command :h3 @@ -62,7 +61,7 @@ the {morse} and {morse/smooth/linear} styles. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -70,9 +69,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_nb3b_harmonic.txt b/doc/src/pair_nb3b_harmonic.txt index 878457237e112503253b71b5a15d10e806444061..51686e906495b71b161f04e5c905b7b018ea6655 100644 --- a/doc/src/pair_nb3b_harmonic.txt +++ b/doc/src/pair_nb3b_harmonic.txt @@ -87,7 +87,7 @@ simulation; LAMMPS ignores those entries. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -95,9 +95,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_nm.txt b/doc/src/pair_nm.txt index c4caad57e682d4d61a52779b49d47179ef0c2ab7..472247e7b2e6e12a4fb4c89833e5896848b73bb5 100644 --- a/doc/src/pair_nm.txt +++ b/doc/src/pair_nm.txt @@ -130,7 +130,7 @@ the "run_style respa"_run_style.html command. They do not support the :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -138,9 +138,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_peri.txt b/doc/src/pair_peri.txt index fa79bbbcbdda776f3e3c28289bdc2287e8a47eb2..3701dc9a30f289b12f4406dc25d5f8694d54ce8e 100644 --- a/doc/src/pair_peri.txt +++ b/doc/src/pair_peri.txt @@ -136,7 +136,7 @@ details please see the description in "(Mtchell2011a)". :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -144,9 +144,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_resquared.txt b/doc/src/pair_resquared.txt index 26b2c81c4a05b8dcc91eef27342b4ec2d6233250..f945aef9c21160219bb6b2de2353500e963e975f 100755 --- a/doc/src/pair_resquared.txt +++ b/doc/src/pair_resquared.txt @@ -142,7 +142,7 @@ specified in the pair_style command is used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -150,9 +150,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_sdk.txt b/doc/src/pair_sdk.txt index 75b6bf0efd54998760c82738c2b03fbe3f78d294..56cd78f797e35b30570164d6f25b76cc42ae2b51 100644 --- a/doc/src/pair_sdk.txt +++ b/doc/src/pair_sdk.txt @@ -82,7 +82,7 @@ pair_style command. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp} or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp} or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -90,9 +90,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP, and OPT packages respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP, and OPT packages respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_soft.txt b/doc/src/pair_soft.txt index 9c5fc11dbfa2407d092d9f23a3246c80288e0d67..c8e8179ac86997f7bb98bb7407e476eac73f7e11 100644 --- a/doc/src/pair_soft.txt +++ b/doc/src/pair_soft.txt @@ -79,7 +79,7 @@ variables. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -87,9 +87,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_sw.txt b/doc/src/pair_sw.txt index 27a3c5046b1232852a6b845aa35c271031e0f8ea..4c62d76a4ad6e05fa33a1fc04d6167a0b4b89d25 100644 --- a/doc/src/pair_sw.txt +++ b/doc/src/pair_sw.txt @@ -7,7 +7,6 @@ :line pair_style sw command :h3 -pair_style sw/cuda command :h3 pair_style sw/gpu command :h3 pair_style sw/intel command :h3 pair_style sw/kk command :h3 @@ -142,7 +141,7 @@ taken from the ij and ik pairs (sigma, a, gamma) :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -150,9 +149,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_table.txt b/doc/src/pair_table.txt index bffcef4f8a3c1a21eb452b16490e384a826dc142..8a667e40f4306e8a721cbd619601e2170f308d02 100644 --- a/doc/src/pair_table.txt +++ b/doc/src/pair_table.txt @@ -213,7 +213,7 @@ one that matches the specified keyword. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -221,9 +221,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_tersoff.txt b/doc/src/pair_tersoff.txt index f0ba9f44857db0d5425a8393bdcbefcb1db23785..466772373fb025c894e68c89916a1b42f532a5a1 100644 --- a/doc/src/pair_tersoff.txt +++ b/doc/src/pair_tersoff.txt @@ -8,7 +8,6 @@ pair_style tersoff command :h3 pair_style tersoff/table command :h3 -pair_style tersoff/cuda :h3 pair_style tersoff/gpu :h3 pair_style tersoff/intel :h3 pair_style tersoff/kk :h3 @@ -19,7 +18,7 @@ pair_style tersoff/table/omp command :h3 pair_style style :pre -style = {tersoff} or {tersoff/table} or {tersoff/cuda} or {tersoff/gpu} or {tersoff/omp} or {tersoff/table/omp} +style = {tersoff} or {tersoff/table} or {tersoff/gpu} or {tersoff/omp} or {tersoff/table/omp} [Examples:] @@ -177,7 +176,7 @@ defined in various papers. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -185,9 +184,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_tersoff_mod.txt b/doc/src/pair_tersoff_mod.txt index 2b17800140951e538a3e683aa72b22645f8280bd..ad4f10686a954b00b0ce9acf48c94d3fd3ec1c71 100644 --- a/doc/src/pair_tersoff_mod.txt +++ b/doc/src/pair_tersoff_mod.txt @@ -114,7 +114,7 @@ for SiSiSi means Si bonded to a Si with another Si atom influencing the bond. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -122,9 +122,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_tersoff_zbl.txt b/doc/src/pair_tersoff_zbl.txt index 7b8097dc0c07aa251529bf276fd8f76f2255bc66..0230be3ab6a0530f6326180d68656115b3c74f60 100644 --- a/doc/src/pair_tersoff_zbl.txt +++ b/doc/src/pair_tersoff_zbl.txt @@ -186,7 +186,7 @@ providing the base ZBL implementation. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -194,9 +194,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_thole.txt b/doc/src/pair_thole.txt index a8416bbdffbabf4c59de41445ff3a494f668d906..af1dffc1a64be8fa06f471d6349daa70027d5f4a 100644 --- a/doc/src/pair_thole.txt +++ b/doc/src/pair_thole.txt @@ -127,7 +127,7 @@ the {pair_style} command line. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -135,9 +135,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_vashishta.txt b/doc/src/pair_vashishta.txt index 6effdf794479f207870f318842caad9ed3ca50b4..24951b1df147ee847cfe3b9d48db28dc2a7dd494 100644 --- a/doc/src/pair_vashishta.txt +++ b/doc/src/pair_vashishta.txt @@ -151,7 +151,7 @@ two-body parameters from the CCC and CSiSi entries. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -159,9 +159,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_yukawa.txt b/doc/src/pair_yukawa.txt index 7fd279f570d53a68b255325f95e0f734d9d2ffaf..621952d70b37d95ecfd2fcfbce43a728ae86e613 100644 --- a/doc/src/pair_yukawa.txt +++ b/doc/src/pair_yukawa.txt @@ -45,7 +45,7 @@ cutoff is used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -53,9 +53,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_yukawa_colloid.txt b/doc/src/pair_yukawa_colloid.txt index 2a92f33cf3ad63d1c466f500007daff5a3f04fb0..03a0dbf1f493026d099548a39da848f6a2c25574 100644 --- a/doc/src/pair_yukawa_colloid.txt +++ b/doc/src/pair_yukawa_colloid.txt @@ -77,7 +77,7 @@ yukawa/colloid cutoff is used. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -85,9 +85,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/pair_zbl.txt b/doc/src/pair_zbl.txt index 555e8cbf5b405bb87b7f3112651e1e118e6aa40f..741aa4514f51e02984b560396a6327774d458930 100644 --- a/doc/src/pair_zbl.txt +++ b/doc/src/pair_zbl.txt @@ -67,7 +67,7 @@ copper. :line -Styles with a {cuda}, {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are +Styles with a {gpu}, {intel}, {kk}, {omp}, or {opt} suffix are functionally the same as the corresponding style without the suffix. They have been optimized to run faster, depending on your available hardware, as discussed in "Section_accelerate"_Section_accelerate.html @@ -75,9 +75,9 @@ of the manual. The accelerated styles take the same arguments and should produce the same results, except for round-off and precision issues. -These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL, -KOKKOS, USER-OMP and OPT packages, respectively. They are only -enabled if LAMMPS was built with those packages. See the "Making +These accelerated styles are part of the GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Making LAMMPS"_Section_start.html#start_3 section for more info. You can specify the accelerated styles explicitly in your input script diff --git a/doc/src/suffix.txt b/doc/src/suffix.txt index 35197c0983b2239e6d9f07f2584cba4227fbbb16..51aead3f37c2c7e1f943db4f2db92ccd50eb3d52 100644 --- a/doc/src/suffix.txt +++ b/doc/src/suffix.txt @@ -12,7 +12,7 @@ suffix command :h3 suffix style args :pre -style = {off} or {on} or {cuda} or {gpu} or {intel} or {kk} or {omp} or {opt} or {hybrid} +style = {off} or {on} or {gpu} or {intel} or {kk} or {omp} or {opt} or {hybrid} args = for hybrid style, default suffix to be used and alternative suffix :ul [Examples:] @@ -31,22 +31,18 @@ exist. In that respect it operates the same as the "-suffix command-line switch"_Section_start.html#start_7. It also has options to turn off or back on any suffix setting made via the command line. -The specified style can be {cuda}, {gpu}, {intel}, {kk}, {omp}, {opt} -or {hybrid}. These refer to optional packages that LAMMPS can be built +The specified style can be {gpu}, {intel}, {kk}, {omp}, {opt} or +{hybrid}. These refer to optional packages that LAMMPS can be built with, as described in "this section of the -manual"_Section_start.html#start_3. The "cuda" style corresponds to -the USER-CUDA package, the "gpu" style to the GPU package, the "intel" -style to the USER-INTEL package, the "kk" style to the KOKKOS package, -the "omp" style to the USER-OMP package, and the "opt" style to the -OPT package. +manual"_Section_start.html#start_3. The "gpu" style corresponds to +the GPU package, the "intel" style to the USER-INTEL package, the "kk" +style to the KOKKOS package, the "omp" style to the USER-OMP package, +and the "opt" style to the OPT package. These are the variants these packages provide: -USER-CUDA = a collection of atom, pair, fix, compute, and intergrate -styles, optimized to run on one or more NVIDIA GPUs :ulb,l - GPU = a handful of pair styles and the PPPM kspace_style, optimized to -run on one or more GPUs or multicore CPU/GPU nodes :l +run on one or more GPUs or multicore CPU/GPU nodes :ulb,l USER-INTEL = a collection of pair styles and neighbor routines optimized to run in single, mixed, or double precision on CPUs and @@ -67,11 +63,11 @@ HYBRID = a combination of two packages can be specified (see below) :ule,l As an example, all of the packages provide a "pair_style lj/cut"_pair_lj.html variant, with style names lj/cut/opt, lj/cut/omp, -lj/cut/gpu, lj/cut/intel, lj/cut/cuda, or lj/cut/kk. A variant styles +lj/cut/gpu, lj/cut/intel, or lj/cut/kk. A variant styles can be specified explicitly in your input script, e.g. pair_style lj/cut/gpu. If the suffix command is used with the appropriate style, you do not need to modify your input script. The specified suffix -(opt,omp,gpu,intel,cuda,kk) is automatically appended whenever your +(opt,omp,gpu,intel,kk) is automatically appended whenever your input script command creates a new "atom"_atom_style.html, "pair"_pair_style.html, "bond"_bond_style.html, "angle"_angle_style.html, "dihedral"_dihedral_style.html,