Allow detection of MPI_Abort condition in library call (76d876f8) · Commits · 郑智淋 / lammps

python/lammps.py

+10 −2

Original line number	Diff line number	Diff line
		@@ -43,6 +43,7 @@ class lammps(object):
		# create instance of LAMMPS

		def __init__(self,name="",cmdargs=None,ptr=None,comm=None):
		self.comm = comm

		# determine module location

		@@ -152,8 +153,15 @@ class lammps(object):

		if self.lib.lammps_has_error(self.lmp):
		sb = create_string_buffer(100)
		self.lib.lammps_get_last_error_message(self.lmp, sb, 100)
		raise Exception(sb.value.decode().strip())
		error_type = self.lib.lammps_get_last_error_message(self.lmp, sb, 100)
		error_msg = sb.value.decode().strip()

		if error_type == 2 and lammps.has_mpi4py_v2 and self.comm != None and self.comm.Get_size() > 1:
		print(error_msg, file=sys.stderr)
		print("Aborting...", file=sys.stderr)
		sys.stderr.flush()
		self.comm.Abort()
		raise Exception(error_msg)

		def extract_global(self,name,type):
		if name: name = name.encode()

+14 −4

Original line number	Diff line number	Diff line
		@@ -22,7 +22,7 @@ using namespace LAMMPS_NS;

		/* ---------------------------------------------------------------------- */

		Error::Error(LAMMPS *lmp) : Pointers(lmp), last_error_message(NULL) {}
		Error::Error(LAMMPS *lmp) : Pointers(lmp), last_error_message(NULL), last_error_type(ERROR_NONE) {}

		/* ----------------------------------------------------------------------
		called by all procs in universe
		@@ -208,13 +208,22 @@ char * Error::get_last_error() const
		return last_error_message;
		}

		/* ----------------------------------------------------------------------
		return the type of the last error reported by LAMMPS (only used if
		compiled with -DLAMMPS_EXCEPTIONS)
		------------------------------------------------------------------------- */

		ErrorType Error::get_last_error_type() const
		{
		return last_error_type;
		}

		/* ----------------------------------------------------------------------
		set the last error message (only used if compiled with
		-DLAMMPS_EXCEPTIONS)
		set the last error message and error type
		(only used if compiled with -DLAMMPS_EXCEPTIONS)
		------------------------------------------------------------------------- */

		void Error::set_last_error(const char * msg)
		void Error::set_last_error(const char * msg, ErrorType type)
		{
		delete [] last_error_message;

		@@ -224,4 +233,5 @@ void Error::set_last_error(const char * msg)
		} else {
		last_error_message = NULL;
		}
		last_error_type = type;
		}

+10 −2

Original line number	Diff line number	Diff line
		@@ -47,8 +47,15 @@ public:
		}
		};

		enum ErrorType {
		ERROR_NONE = 0,
		ERROR_NORMAL = 1,
		ERROR_ABORT = 2
		};

		class Error : protected Pointers {
		char * last_error_message;
		ErrorType last_error_type;

		public:
		Error(class LAMMPS *);
		@@ -64,7 +71,8 @@ class Error : protected Pointers {
		void done(int = 0); // 1 would be fully backwards compatible

		char * get_last_error() const;
		void set_last_error(const char * msg);
		ErrorType get_last_error_type() const;
		void set_last_error(const char * msg, ErrorType type = ERROR_NORMAL);
		};

		}

+17 −3

Original line number	Diff line number	Diff line
		@@ -113,8 +113,18 @@ char lammps_command(void ptr, char *str)

		try {
		return lmp->input->one(str);
		} catch(LAMMPSAbortException & ae) {
		int nprocs = 0;
		MPI_Comm_size(ae.universe, &nprocs );

		if (nprocs > 1) {
		error->set_last_error(ae.message.c_str(), ERROR_ABORT);
		} else {
		error->set_last_error(ae.message.c_str(), ERROR_NORMAL);
		}
		return NULL;
		} catch(LAMMPSException & e) {
		error->set_last_error(e.message.c_str());
		error->set_last_error(e.message.c_str(), ERROR_NORMAL);
		return NULL;
		}
		}
		@@ -613,6 +623,9 @@ int lammps_has_error(void *ptr) {

		/* ----------------------------------------------------------------------
		Copy the last error message of LAMMPS into a character buffer
		The return value encodes which type of error it is.
		1 = normal error (recoverable)
		2 = abort error (non-recoverable)
		------------------------------------------------------------------------- */

		int lammps_get_last_error_message(void ptr, char buffer, int buffer_size) {
		@@ -620,9 +633,10 @@ int lammps_get_last_error_message(void ptr, char buffer, int buffer_size) {
		Error * error = lmp->error;

		if(error->get_last_error()) {
		int error_type = error->get_last_error_type();
		strncpy(buffer, error->get_last_error(), buffer_size-1);
		error->set_last_error(NULL);
		return 1;
		error->set_last_error(NULL, ERROR_NONE);
		return error_type;
		}
		return 0;
		}