Loading doc/src/Build.txt +2 −2 Original line number Diff line number Diff line Loading @@ -36,8 +36,8 @@ END_RST --> "Build LAMMPS with CMake"_Build_cmake.html "Build LAMMPS with make"_Build_make.html "Link LAMMPS as a library to another code"_Build_link.html "Basic build options: serial/parallel, compilers, executable/library"_Build_basics.html "Optional build settings"_Build_settings.html :all(b) "Basic build options"_Build_basics.html "Optional build settings"_Build_settings.html "Include packages in build"_Build_package.html "Packages with extra build options"_Build_extras.html :all(b) Loading doc/src/Build_extras.txt +5 −6 Original line number Diff line number Diff line Loading @@ -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, Loading Loading @@ -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: Loading Loading @@ -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 Loading Loading @@ -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 Loading doc/src/Build_package.txt +1 −0 Original line number Diff line number Diff line Loading @@ -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, Loading doc/src/Intro_authors.txt +1 −1 Original line number Diff line number Diff line Loading @@ -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 Loading doc/src/Manual.txt +2 −2 Original line number Diff line number Diff line <!-- HTML_ONLY --> <HEAD> <TITLE>LAMMPS Users Manual</TITLE> <META NAME="docnumber" CONTENT="2 Aug 2018 version"> <META NAME="docnumber" CONTENT="15 Aug 2018 version"> <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories"> <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License."> </HEAD> Loading @@ -21,7 +21,7 @@ :line LAMMPS Documentation :c,h1 2 Aug 2018 version :c,h2 15 Aug 2018 version :c,h2 "What is a LAMMPS version?"_Manual_version.html Loading Loading
doc/src/Build.txt +2 −2 Original line number Diff line number Diff line Loading @@ -36,8 +36,8 @@ END_RST --> "Build LAMMPS with CMake"_Build_cmake.html "Build LAMMPS with make"_Build_make.html "Link LAMMPS as a library to another code"_Build_link.html "Basic build options: serial/parallel, compilers, executable/library"_Build_basics.html "Optional build settings"_Build_settings.html :all(b) "Basic build options"_Build_basics.html "Optional build settings"_Build_settings.html "Include packages in build"_Build_package.html "Packages with extra build options"_Build_extras.html :all(b) Loading
doc/src/Build_extras.txt +5 −6 Original line number Diff line number Diff line Loading @@ -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, Loading Loading @@ -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: Loading Loading @@ -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 Loading Loading @@ -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 Loading
doc/src/Build_package.txt +1 −0 Original line number Diff line number Diff line Loading @@ -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, Loading
doc/src/Intro_authors.txt +1 −1 Original line number Diff line number Diff line Loading @@ -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 Loading
doc/src/Manual.txt +2 −2 Original line number Diff line number Diff line <!-- HTML_ONLY --> <HEAD> <TITLE>LAMMPS Users Manual</TITLE> <META NAME="docnumber" CONTENT="2 Aug 2018 version"> <META NAME="docnumber" CONTENT="15 Aug 2018 version"> <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories"> <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation. This software and manual is distributed under the GNU General Public License."> </HEAD> Loading @@ -21,7 +21,7 @@ :line LAMMPS Documentation :c,h1 2 Aug 2018 version :c,h2 15 Aug 2018 version :c,h2 "What is a LAMMPS version?"_Manual_version.html Loading
