diff --git a/doc/src/Build_basics.txt b/doc/src/Build_basics.txt index ccfb2b444c5e4edc4ad4142f129b13c2b7354703..138940696f8af3a044e37e53e02b57cc1c9234fb 100644 --- a/doc/src/Build_basics.txt +++ b/doc/src/Build_basics.txt @@ -93,24 +93,29 @@ with it. The majority of OpenMP (threading) support in LAMMPS is provided by the USER-OMP package; see the "Speed omp"_Speed_omp.html doc page for -details. +details. The USER-INTEL package also provides OpenMP support (it is +compatible with USER-OMP) and adds vectorization support when compiled +with the Intel compilers on top of that. Also, the KOKKOS package can +be compiled for using OpenMP threading. However, there are a few commands in LAMMPS that have native OpenMP -support. These are commands in the MPIIO, SNAP, USER-COLVARS, and -USER-DPD packages. See the "Packages details"_Packages_details.html -doc page for more info on these packages and the doc pages for their -respective commands for OpenMP threading info. - -TODO: is this the complete list of native OpenMP commands in LAMMPS? +support. These are commands in the MPIIO, SNAP, USER-DIFFRACTION, and +USER-DPD packages. In addition some commands support OpenMP threading +not directly, but through the libraries they are interfacing to: +e.g. LATTE and USER-COLVARS. See the "Packages +details"_Packages_details.html doc page for more info on these packages +and the doc pages for their respective commands for OpenMP threading +info. For CMake, if you use BUILD_OMP=yes, then you can use these packages and turn on their native OpenMP support at run time, by first setting the OMP_NUM_THREADS environment variable. -For make, ... - -TODO: how do we build LAMMPS with make, to include OpenMP support -(separate from USER-OMP package). Akin to CMake with BUILD_OMP=yes. +For the conventional makefiles, the CCFLAGS and LINKFLAGS variables +need to include the compiler flag, that enables OpenMP. For GNU +compilers, this flag is -fopenmp, for (recent) Intel compilers, +it is -qopenmp. Please refer to the documentation of your compiler, +if you are using a different compiler to compile LAMMPS. :line