forked from lijiext/lammps
18 lines
756 B
Plaintext
18 lines
756 B
Plaintext
Examples of how to use the rerun and read_dump commands
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in.first - run on any number of procs for any size problem
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in.rerun - run on same or different proc count for same size problem
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in.read_dump - ditto to in.rerun
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The thermo output on the same timesteps should be identical
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to within round-off errors.
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in.rdf.first - produces RDF in rdf.first, 50 bins out to 2.5 sigma
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in.rdf.rerun - produces RDF in rdf.rerun, 100 bins out to 5 sigma
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In both bases the time averaged RDF is computed 10x times, every 100
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steps for 1000 total. In the rerun, the pair style cutoff is changed
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so the RDF can be computed to a longer distance without re-running the
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simulation. The RDF values in the 2 files should be the same (within
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round-off) for the first 50 bins.
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