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