diff --git a/src/error.cpp b/src/error.cpp
index 6989e00034cc9b96af9aefe872484483d19c04f9..614b62d5f0e9754001a6063c5aea50d093b380db 100644
--- a/src/error.cpp
+++ b/src/error.cpp
@@ -13,6 +13,7 @@
#include <mpi.h>
#include <stdlib.h>
+#include <string.h>
#include "error.h"
#include "universe.h"
#include "output.h"
@@ -21,7 +22,7 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
-Error::Error(LAMMPS *lmp) : Pointers(lmp) {}
+Error::Error(LAMMPS *lmp) : Pointers(lmp), last_error_message(NULL) {}
/* ----------------------------------------------------------------------
called by all procs in universe
@@ -47,8 +48,14 @@ void Error::universe_all(const char *file, int line, const char *str)
}
if (universe->ulogfile) fclose(universe->ulogfile);
+#ifdef LAMMPS_EXCEPTIONS
+ char msg[100];
+ sprintf(msg, "ERROR: %s (%s:%d)\n", str, file, line);
+ throw LAMMPSException(msg);
+#else
MPI_Finalize();
exit(1);
+#endif
}
/* ----------------------------------------------------------------------
@@ -61,7 +68,14 @@ void Error::universe_one(const char *file, int line, const char *str)
if (universe->uscreen)
fprintf(universe->uscreen,"ERROR on proc %d: %s (%s:%d)\n",
universe->me,str,file,line);
+
+#ifdef LAMMPS_EXCEPTIONS
+ char msg[100];
+ sprintf(msg, "ERROR: %s (%s:%d)\n", str, file, line);
+ throw LAMMPSAbortException(msg, universe->uworld);
+#else
MPI_Abort(universe->uworld,1);
+#endif
}
/* ----------------------------------------------------------------------
@@ -95,6 +109,16 @@ void Error::all(const char *file, int line, const char *str)
if (logfile) fprintf(logfile,"ERROR: %s (%s:%d)\n",str,file,line);
}
+#ifdef LAMMPS_EXCEPTIONS
+ char msg[100];
+ sprintf(msg, "ERROR: %s (%s:%d)\n", str, file, line);
+
+ if (universe->nworlds > 1) {
+ throw LAMMPSAbortException(msg, universe->uworld);
+ }
+
+ throw LAMMPSException(msg);
+#else
if (output) delete output;
if (screen && screen != stdout) fclose(screen);
if (logfile) fclose(logfile);
@@ -102,6 +126,7 @@ void Error::all(const char *file, int line, const char *str)
if (universe->nworlds > 1) MPI_Abort(universe->uworld,1);
MPI_Finalize();
exit(1);
+#endif
}
/* ----------------------------------------------------------------------
@@ -121,7 +146,14 @@ void Error::one(const char *file, int line, const char *str)
if (universe->uscreen)
fprintf(universe->uscreen,"ERROR on proc %d: %s (%s:%d)\n",
universe->me,str,file,line);
+
+#ifdef LAMMPS_EXCEPTIONS
+ char msg[100];
+ sprintf(msg, "ERROR on proc %d: %s (%s:%d)\n", me, str, file, line);
+ throw LAMMPSAbortException(msg, world);
+#else
MPI_Abort(world,1);
+#endif
}
/* ----------------------------------------------------------------------
@@ -165,3 +197,31 @@ void Error::done(int status)
MPI_Finalize();
exit(status);
}
+
+/* ----------------------------------------------------------------------
+ return the last error message reported by LAMMPS (only used if
+ compiled with -DLAMMPS_EXCEPTIONS)
+------------------------------------------------------------------------- */
+
+char * Error::get_last_error() const
+{
+ return last_error_message;
+}
+
+
+/* ----------------------------------------------------------------------
+ set the last error message (only used if compiled with
+ -DLAMMPS_EXCEPTIONS)
+------------------------------------------------------------------------- */
+
+void Error::set_last_error(const char * msg)
+{
+ delete [] last_error_message;
+
+ if(msg) {
+ last_error_message = new char[strlen(msg)+1];
+ strcpy(last_error_message, msg);
+ } else {
+ last_error_message = NULL;
+ }
+}
diff --git a/src/error.h b/src/error.h
index fb44c966dbdc9c2f31d3e4a00cc332dc4b476e53..0ca94405720ccbaec0e7267391c843d8d289c893 100644
--- a/src/error.h
+++ b/src/error.h
@@ -15,10 +15,41 @@
#define LMP_ERROR_H
#include "pointers.h"
+#include <string>
+#include <exception>
namespace LAMMPS_NS {
+class LAMMPSException : public std::exception
+{
+public:
+ std::string message;
+
+ LAMMPSException(std::string msg) : message(msg) {
+ }
+
+ ~LAMMPSException() throw() {
+ }
+
+ virtual const char * what() const throw() {
+ return message.c_str();
+ }
+};
+
+class LAMMPSAbortException : public LAMMPSException {
+public:
+ MPI_Comm universe;
+
+ LAMMPSAbortException(std::string msg, MPI_Comm universe) :
+ LAMMPSException(msg),
+ universe(universe)
+ {
+ }
+};
+
class Error : protected Pointers {
+ char * last_error_message;
+
public:
Error(class LAMMPS *);
@@ -31,6 +62,9 @@ class Error : protected Pointers {
void warning(const char *, int, const char *, int = 1);
void message(const char *, int, const char *, int = 1);
void done(int = 0); // 1 would be fully backwards compatible
+
+ char * get_last_error() const;
+ void set_last_error(const char * msg);
};
}
diff --git a/src/library.cpp b/src/library.cpp
index be407c8bbc5ab61dfd1a7211784ac990f9782b6b..8aa1d9978e6abfed8c5eef4281215df724f6eeba 100644
--- a/src/library.cpp
+++ b/src/library.cpp
@@ -108,8 +108,15 @@ void lammps_file(void *ptr, char *str)
char *lammps_command(void *ptr, char *str)
{
- LAMMPS *lmp = (LAMMPS *) ptr;
- return lmp->input->one(str);
+ LAMMPS * lmp = (LAMMPS *) ptr;
+ Error * error = lmp->error;
+
+ try {
+ return lmp->input->one(str);
+ } catch(LAMMPSException & e) {
+ error->set_last_error(e.message.c_str());
+ return NULL;
+ }
}
/* ----------------------------------------------------------------------
@@ -593,3 +600,29 @@ void lammps_scatter_atoms(void *ptr, char *name,
}
}
}
+
+/* ----------------------------------------------------------------------
+ Check if a new error message
+------------------------------------------------------------------------- */
+
+int lammps_has_error(void *ptr) {
+ LAMMPS * lmp = (LAMMPS *) ptr;
+ Error * error = lmp->error;
+ return error->get_last_error() ? 1 : 0;
+}
+
+/* ----------------------------------------------------------------------
+ Copy the last error message of LAMMPS into a character buffer
+------------------------------------------------------------------------- */
+
+int lammps_get_last_error_message(void *ptr, char * buffer, int buffer_size) {
+ LAMMPS * lmp = (LAMMPS *) ptr;
+ Error * error = lmp->error;
+
+ if(error->get_last_error()) {
+ strncpy(buffer, error->get_last_error(), buffer_size-1);
+ error->set_last_error(NULL);
+ return 1;
+ }
+ return 0;
+}
diff --git a/src/library.h b/src/library.h
index 8b7dc43f084a7bd72d7bc45c1ce146f27d23a2b2..5cb128fdb99b0b769792387e76ee031de6ccb437 100644
--- a/src/library.h
+++ b/src/library.h
@@ -45,6 +45,9 @@ int lammps_get_natoms(void *);
void lammps_gather_atoms(void *, char *, int, int, void *);
void lammps_scatter_atoms(void *, char *, int, int, void *);
+int lammps_has_error(void *);
+int lammps_get_last_error_message(void *, char *, int);
+
#ifdef __cplusplus
}
#endif
diff --git a/src/main.cpp b/src/main.cpp
index fdf7a791d0c6229c8ffd33be31aea9d878941ff6..cc8f8be906b819d6caa5d1506cea3ec97dadccdf 100644
--- a/src/main.cpp
+++ b/src/main.cpp
@@ -14,7 +14,9 @@
#include <mpi.h>
#include "lammps.h"
#include "input.h"
+#include "error.h"
#include <stdio.h>
+#include <stdlib.h>
using namespace LAMMPS_NS;
@@ -26,11 +28,22 @@ int main(int argc, char **argv)
{
MPI_Init(&argc,&argv);
+#ifdef LAMMPS_EXCEPTIONS
+ try {
+ LAMMPS *lammps = new LAMMPS(argc,argv,MPI_COMM_WORLD);
+ lammps->input->file();
+ delete lammps;
+ } catch(LAMMPSAbortException & ae) {
+ MPI_Abort(ae.universe, 1);
+ } catch(LAMMPSException & e) {
+ MPI_Finalize();
+ exit(1);
+ }
+#else
LAMMPS *lammps = new LAMMPS(argc,argv,MPI_COMM_WORLD);
-
lammps->input->file();
delete lammps;
-
+#endif
MPI_Barrier(MPI_COMM_WORLD);
MPI_Finalize();
}