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# You would probably run lammps this way:
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# lmp_ubuntu -i run.in.nvt
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# The files "run.in.min", and "run.in.nvt" are LAMMPS input scripts which refer
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# to the input scripts & data files you created earlier when you ran moltemplate
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# system.in.init, system.in.settings, system.data
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# -----------------------------------
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LAMMPS_COMMAND="lmp_ubuntu"
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# Here "$LAMMPS_BINARY" is the name of the command you use to invoke lammps
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# (such as lmp_linux, lmp_g++, lmp_mac, lmp_cygwin, etc...) Change if necessary.
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# Run lammps using the following 3 commands:
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"$LAMMPS_COMMAND" -i run.in.min # minimize (OPTIONAL)
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"$LAMMPS_COMMAND" -i run.in.nvt # production run
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# Alternately, if you have MPI installed, try something like this:
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#mpirun -np $NUMPROCS "$LAMMPS_COMMAND" -i run.in.min # minimize (OPTIONAL)
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#mpirun -np $NUMPROCS "$LAMMPS_COMMAND" -i run.in.nvt # production run