Classical molecular dynamics proxy application.
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jmohdyusof Update
Fixed error in -np 4 case so that it actually is weak scaling.
Latest commit 3d48396 Mar 2, 2016
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src-mpi Modifications to improve performance timers. Performance is reported … Nov 19, 2013


Classical molecular dynamics proxy application.

This is CoMD version 1.1

CoMD is a reference implementation of typical classical molecular dynamics algorithms and workloads. It is created and maintained by ExMatEx: Exascale Co-Design Center for Materials in Extreme Environments ( The code is intended to serve as a vehicle for co-design by allowing others to extend and/or reimplement it as needed to test performance of new architectures, programming models, etc.

To view the generated Doxygen documentation for CoMD, please visit

To contact the developers of CoMD send email to