forked from lijiext/lammps
74 lines
2.5 KiB
Plaintext
74 lines
2.5 KiB
Plaintext
"Higher level section"_Run_head.html - "LAMMPS WWW Site"_lws - "LAMMPS
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Documentation"_ld - "LAMMPS Commands"_lc :c
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:link(lws,http://lammps.sandia.gov)
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:link(ld,Manual.html)
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:link(lc,Commands_all.html)
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:line
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Running LAMMPS on Windows :h3
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To run a serial (non-MPI) executable, follow these steps:
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Get a command prompt by going to Start->Run... ,
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then typing "cmd". :ulb,l
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Move to the directory where you have your input script,
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(e.g. by typing: cd "Documents"). :l
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At the command prompt, type "lmp_serial -in in.file", where
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in.file is the name of your LAMMPS input script. :l,ule
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Note that the serial executable includes support for multi-threading
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parallelization from the styles in the USER-OMP packages. To run with
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4 threads, you can type this:
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lmp_serial -in in.lj -pk omp 4 -sf omp :pre
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:line
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For the MPI executable, which allows you to run LAMMPS under Windows
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in parallel, follow these steps.
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Download and install a compatible MPI library binary package:
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for 32-bit Windows: "mpich2-1.4.1p1-win-ia32.msi"_http://download.lammps.org/thirdparty/mpich2-1.4.1p1-win-ia32.msi
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for 64-bit Windows: "mpich2-1.4.1p1-win-x86-64.msi"_http://download.lammps.org/thirdparty/mpich2-1.4.1p1-win-x86-64.msi :ul
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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
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installation of the MPICH2 software, it needs to be integrated into
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the system. For this you need to start a Command Prompt in
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{Administrator Mode} (right click on the icon and select it). Change
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into the MPICH2 installation directory, then into the sub-directory
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[bin] and execute [smpd.exe -install]. Exit the command window.
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Get a new, regular command prompt by going to Start->Run... ,
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then typing "cmd". :ulb,l
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Move to the directory where you have your input file
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(e.g. by typing: cd "Documents"). :l,ule
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Then type something like this:
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mpiexec -localonly 4 lmp_mpi -in in.file
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mpiexec -np 4 lmp_mpi -in in.file :pre
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where in.file is the name of your LAMMPS input script. For the latter
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case, you may be prompted to enter your password.
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In this mode, output may not immediately show up on the screen, so if
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your input script takes a long time to execute, you may need to be
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patient before the output shows up.
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The parallel executable can also run on a single processor by typing
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something like this:
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lmp_mpi -in in.lj :pre
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Note that the parallel executable also includes OpenMP
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multi-threading, which 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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