few more formatting issues
This commit is contained in:
@ -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
|
||||
|
||||
Reference in New Issue
Block a user