Skip to content
Snippets Groups Projects
Commit 8cea92d0 authored by Steven J. Plimpton's avatar Steven J. Plimpton
Browse files

few more formatting issues

parent 07cd194e
No related branches found
No related tags found
No related merge requests found
......@@ -25,6 +25,7 @@ You may need to tell LAMMPS where it is found on your system.
This is the list of packages that may require additional steps.
"COMPRESS"_#compress,
"GPU"_#gpu,
"KIM"_#kim,
"KOKKOS"_#kokkos,
......@@ -231,7 +232,7 @@ Pascal61 = NVIDIA Pascal generation CC 6.1 :ul
For multicore CPUs using OpenMP, set these 2 variables.
-D KOKKOS_ARCH=archCPU # archCPU = CPU from list above :pre
-D KOKKOS_ARCH=archCPU # archCPU = CPU from list above
-D KOKKOS_ENABLE_OPENMP=yes :pre
For Intel KNLs using OpenMP, set these 2 variables:
......@@ -710,16 +711,14 @@ Makefile.knl files for examples.
For CPUs:
OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -qoverride-limits -qopt-zmm-usage=high
CCFLAGS = -g -qopenmp -DLAMMPS_MEMALIGN=64 -no-offload \
-fno-alias -ansi-alias -restrict $(OPTFLAGS)
CCFLAGS = -g -qopenmp -DLAMMPS_MEMALIGN=64 -no-offload -fno-alias -ansi-alias -restrict $(OPTFLAGS)
LINKFLAGS = -g -qopenmp $(OPTFLAGS)
LIB = -ltbbmalloc :pre
For KNLs:
OPTFLAGS = -xMIC-AVX512 -O2 -fp-model fast=2 -no-prec-div -qoverride-limits
CCFLAGS = -g -qopenmp -DLAMMPS_MEMALIGN=64 -no-offload \
-fno-alias -ansi-alias -restrict $(OPTFLAGS)
CCFLAGS = -g -qopenmp -DLAMMPS_MEMALIGN=64 -no-offload -fno-alias -ansi-alias -restrict $(OPTFLAGS)
LINKFLAGS = -g -qopenmp $(OPTFLAGS)
LIB = -ltbbmalloc :pre
......@@ -850,7 +849,7 @@ lib/quip/README file for details on how to do this.
[CMake build]:
-D QUIP_LIBRARIES=path # path to libquip.a (only needed if a custom location)
-D QUIP_LIBRARIES=path # path to libquip.a (only needed if a custom location) :pre
CMake will not download and build the QUIP library. But once you have
done that, a CMake build of LAMMPS with "-D PKG_USER-QUIP=yes" should
......
......@@ -36,6 +36,7 @@ steps, as explained on the "Build extras"_Build_extras.html doc page.
These links take you to the extra instructions for those select
packages:
"COMPRESS"_Build_extras.html#compress,
"GPU"_Build_extras.html#gpu,
"KIM"_Build_extras.html#kim,
"KOKKOS"_Build_extras.html#kokkos,
......
......@@ -30,7 +30,7 @@ the packages they have written are somewhat unique to LAMMPS and the
code would not be as general-purpose as it is without their expertise
and efforts.
Richard Berger (Temple U), GitHub site and Sphinx doc pages
Richard Berger (Temple U), Python interface, GitHub site, Sphinx doc pages
Roy Pollock (LLNL), Ewald and PPPM solvers
Mike Brown (ORNL), brownw at ornl.gov, GPU and USER-INTEL packages
Greg Wagner (Sandia), gjwagne at sandia.gov, MEAM package for MEAM potential
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment