2012-07-04 06:16:40 +08:00
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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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2018-03-22 07:40:03 +08:00
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directory. This assumes that the executable lmp_mpi has been built
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2012-07-04 06:16:40 +08:00
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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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------------------------------------------------------------------------
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2018-03-22 07:40:03 +08:00
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lmp_mpi -in in.fene
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lmp_mpi -in in.tersoff
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2012-07-04 06:16:40 +08:00
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2018-03-22 07:40:03 +08:00
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mpirun -np 4 lmp_mpi -in in.fene
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mpirun -np 4 lmp_mpi -in in.protein
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