forked from lijiext/lammps
33 lines
1.5 KiB
Plaintext
33 lines
1.5 KiB
Plaintext
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These are input scripts used to run benchmark tests for many of the
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interatomic potentials in LAMMPS. The results of running these
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scripts on different machines are shown on the Potentials section of
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the Benchmark page of the LAMMPS WWW site (lammps.sandia.gov/bench).
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Examples are shown below of how to run these scripts. Log files for
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running them on 1 and 4 processors of a Linux box are included in the
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directory. This assumes that the executable lmp_linux has been built
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with the appropriate packages installed in order to run with a
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particular potential. For the ReaxFF potential invoked by the in.reax
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script, you should build the Fortran ReaxFF library in lib/reax, using
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the included reax_defs.h file to enable the problem size specified by
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the in.reax file.
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Any potential parameter file(s) used by the input scripts are also
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included in this directory.
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Note that some of the input scripts read data files of atomic
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coordinates via the "read_data" command. Those data files are NOT
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included in this directory, to make the LAMMPS download tarball
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smaller. They are available on the Benchmark page of the LAMMPS WWW
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site (lammps.sandia.gov/bench), via the tarball link in the table
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under the Potentials section. If you download and unpack the tarball
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for a particular potential, the data file is included.
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------------------------------------------------------------------------
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lmp_linux < in.fene
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lmp_linux < in.tersoff
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mpirun -np 4 lmp_linux < in.fene
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mpirun -np 4 lmp_linux < in.protein
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