--- trunk/src/utils/simError.c	2004/09/24 04:16:43	2
+++ branches/development/src/utils/simError.c	2011/07/11 01:39:49	1590
@@ -1,34 +1,71 @@
+/*
+ * 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, 24107 (2008).          
+ * [4]  Vardeman & Gezelter, in progress (2009).                        
+ */
+ 
 #include <stdlib.h>
 #include <stdio.h>
 #include <string.h>
 #include "config.h"
-
 #ifdef  IS_MPI
 #include <mpi.h>
+#endif
 
 int nChecks;
-#endif // IS_MPI
 
-#include "simError.h"
+#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;
+#ifdef IS_MPI
   MPI_Comm_rank( MPI_COMM_WORLD, &worldRank );
+#else
+  worldRank = 0;
 #endif
 }
 
@@ -39,13 +76,13 @@ int simError( void ) {
   char errorMsg[MAX_SIM_ERROR_MSG_LENGTH];
   char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH];
   
-  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 ) {
@@ -55,22 +92,24 @@ 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, errorMsg);
+    
 #ifdef IS_MPI
-  if (painCave.isEventLoop) 
-    return 1;
+    if (painCave.isEventLoop) 
+      return 1;
+  }
 #endif   
 
   if (painCave.isFatal) {
@@ -84,30 +123,43 @@ int simError( void ) {
   return 1;  
 }
  
-  
-#ifdef IS_MPI
 
-void MPIcheckPoint( void ){
-  
+void errorCheckPoint( void ){
+    
   int myError = 0;
-  int 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
+