print warning only on MPI rank 0 (d8cd12b2) · Commits · 郑智淋 / lammps

src/velocity.cpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -67,7 +67,7 @@ void Velocity::command(int narg, char **arg)

		// check if velocities of atoms in rigid bodies are updated

		if (modify->check_rigid_group_overlap(groupbit))
		if (modify->check_rigid_group_overlap(groupbit) && (comm->me == 0))
		error->warning(FLERR,"Changing velocities of atoms in rigid bodies. "
		"This has no effect unless rigid bodies are rebuild");

		@@ -200,7 +200,7 @@ void Velocity::create(double t_desired, int seed)
		// initialize temperature computation(s)
		// warn if groups don't match

		if (igroup != temperature->igroup && comm->me == 0)
		if ((igroup != temperature->igroup) && (comm->me == 0))
		error->warning(FLERR,"Mismatch between velocity and compute groups");
		temperature->init();
		temperature->setup();
		@@ -596,7 +596,7 @@ void Velocity::scale(int /narg/, char **arg)
		// initialize temperature computation
		// warn if groups don't match

		if (igroup != temperature->igroup && comm->me == 0)
		if ((igroup != temperature->igroup) && (comm->me == 0))
		error->warning(FLERR,"Mismatch between velocity and compute groups");
		temperature->init();
		temperature->setup();