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root/OpenMD/trunk/src/utils/simError.cpp
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branches/development/src/utils/simError.c (file contents), Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
trunk/src/utils/simError.cpp (file contents), Revision 1938 by gezelter, Thu Oct 31 15:32:17 2013 UTC

# Line 35 | Line 35
35   *                                                                      
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38 < * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42 + #ifdef  IS_MPI
43 + #include <mpi.h>
44 + #endif
45  
46   #include <stdlib.h>
47   #include <stdio.h>
48   #include <string.h>
49   #include "config.h"
46 – #ifdef  IS_MPI
47 – #include <mpi.h>
48 – #endif
50  
51   int nChecks;
52  
# Line 63 | Line 64 | void initSimError( void ){
64    painCave.isEventLoop = 0;
65    nChecks = 0;
66   #ifdef IS_MPI
67 <  MPI_Comm_rank( MPI_COMM_WORLD, &worldRank );
67 >  worldRank = MPI::COMM_WORLD.Get_rank();
68   #else
69    worldRank = 0;
70   #endif
# Line 71 | Line 72 | int simError( void ) {
72  
73   int simError( void ) {
74    
75 +  char errorMsg[MAX_SIM_ERROR_MSG_LENGTH];
76 +
77 + #ifdef IS_MPI
78    int myError = 1;
79    int isError;
76 –  char errorMsg[MAX_SIM_ERROR_MSG_LENGTH];
80    char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH];
81 + #endif
82    
83    strcpy(errorMsg, "OpenMD ");
84    switch( painCave.severity ) {
# Line 92 | Line 96 | int simError( void ) {
96    }
97    
98   #ifdef IS_MPI
99 <  if ( painCave.isEventLoop ) {
100 <    sprintf( nodeMsg, " (reported by MPI node %d)", worldRank);
101 <    strncat(errorMsg, nodeMsg, strlen(nodeMsg));
102 <  }
99 >  if (worldRank == 0) {
100 >    if ( painCave.isEventLoop ) {
101 >      sprintf( nodeMsg, " (reported by MPI node %d)", worldRank);
102 >      strncat(errorMsg, nodeMsg, strlen(nodeMsg));
103 >    }
104   #endif
105 <
106 <  strcat(errorMsg, ":\n\t");
107 <
108 <  strncat(errorMsg, painCave.errMsg, strlen(painCave.errMsg));
109 <
110 <  strcat(errorMsg, "\n");
111 <  fprintf(stderr, errorMsg);
112 <
105 >    
106 >    strcat(errorMsg, ":\n\t");
107 >    
108 >    strncat(errorMsg, painCave.errMsg, strlen(painCave.errMsg));
109 >    
110 >    strcat(errorMsg, "\n");
111 >    fprintf(stderr, "%s", errorMsg);
112 >    
113   #ifdef IS_MPI
114 <  if (painCave.isEventLoop)
115 <    return 1;
114 >    if (painCave.isEventLoop)
115 >      return 1;
116 >  }
117   #endif  
118  
119    if (painCave.isFatal) {
120   #ifdef IS_MPI    
121 <    MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD );
122 <    MPI_Finalize();
121 >    MPI::COMM_WORLD.Allreduce(&myError, &isError, 1, MPI::INT, MPI::LOR);
122 >    MPI::Finalize();
123   #endif
124      exit(0);
125 <  }
120 <
125 >  }  
126    return 1;  
127   }
123 –
128  
129 +
130   void errorCheckPoint( void ){
131 <    
131 >  
132    int myError = 0;
133    int isError = 0;
134 <
134 >  
135   #ifdef IS_MPI
136 <  MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD );
136 >  MPI::COMM_WORLD.Allreduce(&myError, &isError, 1, MPI::INT, MPI::LOR);
137   #else
138    isError = myError;
139   #endif
140 <
141 <  if( isError ){
137 <
140 >  
141 >  if( isError ){    
142   #ifdef IS_MPI
143 <    MPI_Finalize();
144 < #endif
141 <
143 >    MPI::Finalize();
144 > #endif    
145      exit(0);
146    }
147 <
147 >  
148   #ifdef CHECKPOINT_VERBOSE  
149    nChecks++;
150  

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