diff --git a/doc/src/Build_extras.txt b/doc/src/Build_extras.txt index a3a05ed50ee8c2fbda866f9439ea3279d040c86e..6bbf504496006b30daf8652f5275f419686e26ab 100644 --- a/doc/src/Build_extras.txt +++ b/doc/src/Build_extras.txt @@ -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 diff --git a/doc/src/Build_package.txt b/doc/src/Build_package.txt index dc8918c884a860674b461e98992c56ae58a6376d..0c7d1917de3085452f3a933cef39967adca5c6ea 100644 --- a/doc/src/Build_package.txt +++ b/doc/src/Build_package.txt @@ -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, diff --git a/doc/src/Intro_authors.txt b/doc/src/Intro_authors.txt index 3e9c163eb238d99b7801ab1fa2e206b7dd661574..5d9efb30775e4d5d510a6e633a9f62a12adea409 100644 --- a/doc/src/Intro_authors.txt +++ b/doc/src/Intro_authors.txt @@ -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