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must not set *any* communicators in plumed lib when using MPI_STUBS

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Axel Kohlmeyer 2020-06-08 10:38:20 -04:00
parent 7512cd3518
commit 8b154cfbf6
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1 changed files with 1 additions and 1 deletions
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2
src/USER-PLUMED/fix_plumed.cpp
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@ -82,6 +82,7 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
error->all(FLERR,"Incompatible API version for PLUMED in fix plumed. " error->all(FLERR,"Incompatible API version for PLUMED in fix plumed. "
"Only Plumed 2.4.x, 2.5.x, and 2.6.x are tested and supported."); "Only Plumed 2.4.x, 2.5.x, and 2.6.x are tested and supported.");
#if !defined(MPI_STUBS)
// If the -partition option is activated then enable // If the -partition option is activated then enable
// inter-partition communication // inter-partition communication
@ -108,7 +109,6 @@ FixPlumed::FixPlumed(LAMMPS *lmp, int narg, char **arg) :
// whereas if partitions are not defined then world is equal to // whereas if partitions are not defined then world is equal to
// MPI_COMM_WORLD. // MPI_COMM_WORLD.
#if !defined(MPI_STUBS)
// plumed does not know about LAMMPS using the MPI STUBS library and will // plumed does not know about LAMMPS using the MPI STUBS library and will
// fail if this is called under these circumstances // fail if this is called under these circumstances
p->cmd("setMPIComm",&world); p->cmd("setMPIComm",&world);