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freebsd-ports/science/dlpoly-classic/pkg-message
Pawel Pekala 02c3ca4376 DL_POLY is a general purpose classical molecular dynamics (MD) simulation
software developed at Daresbury Laboratory by I.T. Todorov and W. Smith.

WWW: http://ccpforge.cse.rl.ac.uk/gf/project/dl_poly_classic/

PR:		ports/166725
Submitted by:	Jason Bacon <jwbacon@tds.net>
2012-04-17 17:35:33 +00:00

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This port provides both serial and parallel (MPI) binaries. Use of
the MPI binary is strongly recommended on any machine with multiple
cores available. The serial binary is provided only for testing and
very small models.
To run a model on a workstation using 4 cores, use:
mpirun -n 4 dlpoly-classic-mpi
To run on a cluster, please see the documentation for your scheduler software.
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