--- trunk/src/utils/simError.c 2004/09/24 16:27:58 3
+++ trunk/src/utils/simError.cpp 2014/02/26 14:14:50 1969
@@ -1,51 +1,92 @@
+/*
+ * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
+ *
+ * The University of Notre Dame grants you ("Licensee") a
+ * non-exclusive, royalty free, license to use, modify and
+ * redistribute this software in source and binary code form, provided
+ * that the following conditions are met:
+ *
+ * 1. Redistributions of source code must retain the above copyright
+ * notice, this list of conditions and the following disclaimer.
+ *
+ * 2. Redistributions in binary form must reproduce the above copyright
+ * notice, this list of conditions and the following disclaimer in the
+ * documentation and/or other materials provided with the
+ * distribution.
+ *
+ * This software is provided "AS IS," without a warranty of any
+ * kind. All express or implied conditions, representations and
+ * warranties, including any implied warranty of merchantability,
+ * fitness for a particular purpose or non-infringement, are hereby
+ * excluded. The University of Notre Dame and its licensors shall not
+ * be liable for any damages suffered by licensee as a result of
+ * using, modifying or distributing the software or its
+ * derivatives. In no event will the University of Notre Dame or its
+ * licensors be liable for any lost revenue, profit or data, or for
+ * direct, indirect, special, consequential, incidental or punitive
+ * damages, however caused and regardless of the theory of liability,
+ * arising out of the use of or inability to use software, even if the
+ * University of Notre Dame has been advised of the possibility of
+ * such damages.
+ *
+ * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
+ * research, please cite the appropriate papers when you publish your
+ * work. Good starting points are:
+ *
+ * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
+ * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
+ * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
+ * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
+ * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
+ */
+#ifdef IS_MPI
+#include <mpi.h>
+#endif
+
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include "config.h"
-#ifdef IS_MPI
-#include <mpi.h>
-
int nChecks;
-#endif // IS_MPI
#include "utils/simError.h"
errorStruct painCave;
-#ifdef IS_MPI
-
char checkPointMsg[MAX_SIM_ERROR_MSG_LENGTH];
int worldRank;
-#endif
-
-
void initSimError( void ){
painCave.errMsg[0] = '\0';
painCave.isFatal = 0;
- painCave.severity = OOPSE_ERROR;
-#ifdef IS_MPI
+ painCave.severity = OPENMD_ERROR;
painCave.isEventLoop = 0;
nChecks = 0;
- MPI_Comm_rank( MPI_COMM_WORLD, &worldRank );
+#ifdef IS_MPI
+ MPI_Comm_rank( MPI_COMM_WORLD, &worldRank);
+#else
+ worldRank = 0;
#endif
}
int simError( void ) {
+ char errorMsg[MAX_SIM_ERROR_MSG_LENGTH];
+
+#ifdef IS_MPI
int myError = 1;
int isError;
- char errorMsg[MAX_SIM_ERROR_MSG_LENGTH];
char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH];
+#endif
- strcpy(errorMsg, "OOPSE ");
+ strcpy(errorMsg, "OpenMD ");
switch( painCave.severity ) {
- case OOPSE_WARNING:
- strcat(errorMsg, "WARNING");
+ case OPENMD_WARNING:
+ strcat(errorMsg, "warning");
break;
- case OOPSE_INFO:
- strcat(errorMsg, "INFO");
+ case OPENMD_INFO:
+ strcat(errorMsg, "info");
break;
default:
if( painCave.isFatal ) {
@@ -55,59 +96,71 @@ int simError( void ) {
}
#ifdef IS_MPI
- if ( painCave.isEventLoop ) {
- sprintf( nodeMsg, " (reported by MPI node %d)", worldRank);
- strncat(errorMsg, nodeMsg, strlen(nodeMsg));
- }
+ if (worldRank == 0) {
+ if ( painCave.isEventLoop ) {
+ sprintf( nodeMsg, " (reported by MPI node %d)", worldRank);
+ strncat(errorMsg, nodeMsg, strlen(nodeMsg));
+ }
#endif
-
- strcat(errorMsg, ":\n\t");
-
- strncat(errorMsg, painCave.errMsg, strlen(painCave.errMsg));
-
- strcat(errorMsg, "\n");
- fprintf(stderr, errorMsg);
-
+
+ strcat(errorMsg, ":\n\t");
+
+ strncat(errorMsg, painCave.errMsg, strlen(painCave.errMsg));
+
+ strcat(errorMsg, "\n");
+ fprintf(stderr, "%s", errorMsg);
+
#ifdef IS_MPI
- if (painCave.isEventLoop)
- return 1;
+ if (painCave.isEventLoop)
+ return 1;
+ }
#endif
if (painCave.isFatal) {
#ifdef IS_MPI
- MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD );
+ MPI_Allreduce(&myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);
MPI_Finalize();
#endif
exit(0);
- }
-
+ }
return 1;
}
-
-
-#ifdef IS_MPI
-void MPIcheckPoint( void ){
+
+void errorCheckPoint( void ){
int myError = 0;
- int isError;
-
- MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD );
- if( isError ){
+ int isError = 0;
+
+#ifdef IS_MPI
+ MPI_Allreduce(&myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD);
+#else
+ isError = myError;
+#endif
+
+ if( isError ){
+#ifdef IS_MPI
MPI_Finalize();
+#endif
exit(0);
}
-
+
#ifdef CHECKPOINT_VERBOSE
nChecks++;
+
+#ifdef IS_MPI
if( worldRank == 0 ){
+#endif
+
fprintf(stderr,
"Checkpoint #%d reached: %s\n",
nChecks,
checkPointMsg );
+#ifdef IS_MPI
}
-#endif // CHECKPOINT_VERBOSE
+#endif
+#endif
}
-#endif // IS_MPI
+