print messages about reading potential files only on MPI rank 0 (94c9cdbc) · Commits · 郑智淋 / lammps

src/force.cpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -1020,13 +1020,13 @@ FILE Force::open_potential(const char name, int *auto_convert)
		std::string date = utils::get_potential_date(filepath, "potential");
		std::string units = utils::get_potential_units(filepath, "potential");

		if(!date.empty()) {
		if(!date.empty() && (comm->me == 0)) {
		utils::logmesg(lmp, fmt::format("Reading potential file {} "
		"with DATE: {}\n", name, date));
		}

		if (auto_convert == nullptr) {
		if (!units.empty() && (units != unit_style)) {
		if (!units.empty() && (units != unit_style) && (comm->me == 0)) {
		error->one(FLERR, fmt::format("Potential file {} requires {} units "
		"but {} units are in use", name, units,
		unit_style));
		@@ -1049,7 +1049,7 @@ FILE Force::open_potential(const char name, int *auto_convert)
		return nullptr;
		}
		}
		if (*auto_convert != utils::NOCONVERT)
		if ((*auto_convert != utils::NOCONVERT) && (comm->me == 0))
		lmp->error->warning(FLERR, fmt::format("Converting potential file in "
		"{} units to {} units",
		units, unit_style));