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VMD supports large scale batch mode parallel analysis and visualization on
clusters and supercomputers when it has been compiled with
MPI support [14,35,26,40,41,36,37,38,42].
When running VMD on clusters and parallel computers it is possible to
run one MPI rank per CPU core, or more likely, one MPI rank for several
CPU cores, or one MPI rank for an entire compute node. If running more
than one VMD instance per compute node, it is typically necessary to set
environment variables to limit which CPU cores and/or GPUs each VMD
instance attempts to use to prevent performance anomalies from arising
due to resource contention .