must not set *any* communicators in plumed lib when using MPI_STUBS (8b154cfb) · Commits · 郑智淋 / lammps

src/USER-PLUMED/fix_plumed.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -82,6 +82,7 @@ FixPlumed::FixPlumed(LAMMPS lmp, int narg, char *arg) :
		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.");

		#if !defined(MPI_STUBS)
		// If the -partition option is activated then enable
		// 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
		// MPI_COMM_WORLD.

		#if !defined(MPI_STUBS)
		// plumed does not know about LAMMPS using the MPI STUBS library and will
		// fail if this is called under these circumstances
		p->cmd("setMPIComm",&world);