diff --git a/doc/src/Build.txt b/doc/src/Build.txt index 1deaa1bd36e6da0ef96cee8240dfb2249b56a80d..e62268b84b6ed85fb7696d81e8b264cf5804042d 100644 --- a/doc/src/Build.txt +++ b/doc/src/Build.txt @@ -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) 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 diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt index c4dbf0415ee1a59672bf383d1f84c7cbd3558375..189ea795a3bd280a8665f71215aa39bfcad916de 100644 --- a/doc/src/Manual.txt +++ b/doc/src/Manual.txt @@ -1,7 +1,7 @@ <!-- 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> @@ -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 diff --git a/doc/src/Speed.txt b/doc/src/Speed.txt index 17d44e83653a07657fdf2c40c689de8fb67edd96..dd2052bac184863ccbf15290b13fbd7589f0653e 100644 --- a/doc/src/Speed.txt +++ b/doc/src/Speed.txt @@ -37,11 +37,6 @@ hardware platforms. Speed_measure Speed_tips Speed_packages - Speed_gpu - Speed_intel - Speed_kokkos - Speed_omp - Speed_opt Speed_compare END_RST -->