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multiscale
lammps
Commits
8cea92d0
Commit
8cea92d0
authored
6 years ago
by
Steven J. Plimpton
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few more formatting issues
parent
07cd194e
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doc/src/Build_extras.txt
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doc/src/Build_extras.txt
doc/src/Build_package.txt
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doc/src/Build_package.txt
doc/src/Intro_authors.txt
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doc/src/Build_extras.txt
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8cea92d0
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@@ -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,
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@@ -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:
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@@ -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
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@@ -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
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@@ -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,
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doc/src/Intro_authors.txt
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@@ -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
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