From cee87d7a54b59d65d21ed68a5b7407067ccc8e5a Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer <akohlmey@gmail.com> Date: Tue, 15 Aug 2017 16:19:09 -0400 Subject: [PATCH] update manual to point to packages.lammps.org instead of rpm.lammps.org --- doc/src/Manual.txt | 2 +- doc/src/Section_start.txt | 54 +++++++++++++++++----------- doc/src/tutorial_bash_on_windows.txt | 0 doc/src/tutorials.txt | 0 4 files changed, 34 insertions(+), 22 deletions(-) mode change 100755 => 100644 doc/src/tutorial_bash_on_windows.txt mode change 100755 => 100644 doc/src/tutorials.txt diff --git a/doc/src/Manual.txt b/doc/src/Manual.txt index 07f0c8df41..d78df81a5b 100644 --- a/doc/src/Manual.txt +++ b/doc/src/Manual.txt @@ -79,7 +79,7 @@ bug reports and feature requests are mainly coordinated through the "LAMMPS project on GitHub."_https://github.com/lammps/lammps The lammps.org domain, currently hosting "public continuous integration testing"_https://ci.lammps.org/job/lammps/ and "precompiled Linux -RPM and Windows installer packages"_http://rpm.lammps.org is located +RPM and Windows installer packages"_http://packages.lammps.org is located at Temple University and managed by Richard Berger, richard.berger at temple.edu. diff --git a/doc/src/Section_start.txt b/doc/src/Section_start.txt index 6eef155be2..a25ec11cfe 100644 --- a/doc/src/Section_start.txt +++ b/doc/src/Section_start.txt @@ -662,27 +662,25 @@ your own build system. Due to differences between the Windows OS and Windows system libraries to Unix-like environments like Linux or MacOS, when compiling for Windows a few adjustments may be needed: -Do not set the -DLAMMPS_MEMALIGN define (see LMP_INC makefile variable) +Do [not] set the -DLAMMPS_MEMALIGN define (see LMP_INC makefile variable) Add -lwsock32 -lpsapi to the linker flags (see LIB makefile variable) -Try adding -static-libgcc or -static or both to the linker flags when your -LAMMPS executable complains about missing .dll files :ul +Try adding -static-libgcc or -static or both to the linker flags when your LAMMPS executable complains about missing .dll files :ul -Since none of the current LAMMPS core developers -has significant experience building executables on Windows, we are -happy to distribute contributed instructions and modifications, but -we cannot provide support for those. +Since none of the current LAMMPS core developers has significant +experience building executables on Windows, we are happy to distribute +contributed instructions and modifications to improve the situation, +but we cannot provide support for those. With the so-called "Anniversary Update" to Windows 10, there is a Ubuntu Linux subsystem available for Windows, that can be installed and then used to compile/install LAMMPS as if you are running on a Ubuntu Linux system instead of Windows. -As an alternative, you can download "daily builds" (and some older -versions) of the installer packages from -"rpm.lammps.org/windows.html"_http://rpm.lammps.org/windows.html. -These executables are built with most optional packages and the -download includes documentation, potential files, some tools and -many examples, but no source code. +As an alternative, you can download pre-compiled installer packages from +"packages.lammps.org/windows.html"_http://packages.lammps.org/windows.html. +These executables are built with most optional packages included and the +download includes documentation, potential files, some tools and many +examples, but no source code. :line @@ -1095,7 +1093,7 @@ LAMMPS to be built with one or more of its optional packages. :line On a Windows box, you can skip making LAMMPS and simply download an -installer package from "here"_http://rpm.lammps.org/windows.html +installer package from "here"_http://packages.lammps.org/windows.html For running the non-MPI executable, follow these steps: @@ -1107,18 +1105,27 @@ the [in.lj] input from the bench folder. (e.g. by typing: cd "Documents"). :l At the command prompt, type "lmp_serial -in in.lj", replacing [in.lj] with the name of your LAMMPS input script. :l + +The serial executable includes support for multi-threading +parallelization from the styles in the USER-OMP packages. + +To run with, e.g. 4 threads, type "lmp_serial -in in.lj -pk omp 4 -sf omp" :ule -For the MPI version, which allows you to run LAMMPS under Windows on -multiple processors, follow these steps: +For the MPI version, which allows you to run LAMMPS under Windows with +the more general message passing parallel library (LAMMPS has been +designed from ground up to use MPI efficiently), follow these steps: -Download and install -"MPICH2"_http://www.mcs.anl.gov/research/projects/mpich2/downloads/index.php?s=downloads -for Windows. :ulb,l +Download and install a compatible MPI library binary package: +for 32-bit Windows +"mpich2-1.4.1p1-win-ia32.msi"_download.lammps.org/thirdparty/mpich2-1.4.1p1-win-ia32.msi +and for 64-bit Windows +"mpich2-1.4.1p1-win-x86-64.msi"_download.lammps.org/thirdparty/mpich2-1.4.1p1-win-x86-64.msi +:ulb,l The LAMMPS Windows installer packages will automatically adjust your path for the default location of this MPI package. After the installation -of the MPICH software, it needs to be integrated into the system. +of the MPICH2 software, it needs to be integrated into the system. For this you need to start a Command Prompt in {Administrator Mode} (right click on the icon and select it). Change into the MPICH2 installation directory, then into the subdirectory [bin] and execute @@ -1137,7 +1144,7 @@ or mpiexec -np 4 lmp_mpi -in in.lj :pre -replacing in.lj with the name of your LAMMPS input script. For the latter +replacing [in.lj] with the name of your LAMMPS input script. For the latter case, you may be prompted to enter your password. :l In this mode, output may not immediately show up on the screen, so if @@ -1149,6 +1156,11 @@ something like: lmp_mpi -in in.lj :pre +And the parallel executable also includes OpenMP multi-threading, which +can be combined with MPI using something like: + +mpiexec -localonly 2 lmp_mpi -in in.lj -pk omp 2 -sf omp :pre + :ule :line diff --git a/doc/src/tutorial_bash_on_windows.txt b/doc/src/tutorial_bash_on_windows.txt old mode 100755 new mode 100644 diff --git a/doc/src/tutorials.txt b/doc/src/tutorials.txt old mode 100755 new mode 100644 -- GitLab