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uw-cmg / MAST

MAterials Simulation Toolkit for use with pymatgen
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occasionally structopt will fail on multiple cores on a single node #383

Closed cmgtam closed 8 years ago

cmgtam commented 10 years ago

...using mpi4py.(?) This problem happens with approx 1% of jobs. Min solved this problem, which apparently was that structopt was opening same potential file at the same time. The solution is to make different run directories for LAMMPS on different processors - Allen method okay, but another method needed this change.

cmgtam commented 8 years ago

Transferred issue to https://github.com/uw-cmg/StructOpt_modular. Closing here.