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root/OpenMD/trunk/src/utils/simError.cpp
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Comparing:
trunk/src/utils/simError.c (file contents), Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
trunk/src/utils/simError.cpp (file contents), Revision 1938 by gezelter, Thu Oct 31 15:32:17 2013 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 6 | Line 6
6   * redistribute this software in source and binary code form, provided
7   * that the following conditions are met:
8   *
9 < * 1. Acknowledgement of the program authors must be made in any
10 < *    publication of scientific results based in part on use of the
11 < *    program.  An acceptable form of acknowledgement is citation of
12 < *    the article in which the program was described (Matthew
13 < *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14 < *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15 < *    Parallel Simulation Engine for Molecular Dynamics,"
16 < *    J. Comput. Chem. 26, pp. 252-271 (2005))
17 < *
18 < * 2. Redistributions of source code must retain the above copyright
9 > * 1. Redistributions of source code must retain the above copyright
10   *    notice, this list of conditions and the following disclaimer.
11   *
12 < * 3. Redistributions in binary form must reproduce the above copyright
12 > * 2. Redistributions in binary form must reproduce the above copyright
13   *    notice, this list of conditions and the following disclaimer in the
14   *    documentation and/or other materials provided with the
15   *    distribution.
# Line 37 | Line 28
28   * arising out of the use of or inability to use software, even if the
29   * University of Notre Dame has been advised of the possibility of
30   * such damages.
31 + *
32 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33 + * research, please cite the appropriate papers when you publish your
34 + * work.  Good starting points are:
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, 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"
50  
47 – #ifdef  IS_MPI
48 – #include <mpi.h>
49 –
51   int nChecks;
51 – #endif // IS_MPI
52  
53   #include "utils/simError.h"
54  
55   errorStruct painCave;
56  
57 – #ifdef IS_MPI
58 –
57   char checkPointMsg[MAX_SIM_ERROR_MSG_LENGTH];
58   int worldRank;
59  
62 – #endif
63 –
64 –
60   void initSimError( void ){
61    painCave.errMsg[0] = '\0';
62    painCave.isFatal = 0;
63 <  painCave.severity = OOPSE_ERROR;
69 < #ifdef IS_MPI
63 >  painCave.severity = OPENMD_ERROR;
64    painCave.isEventLoop = 0;
65    nChecks = 0;
66 <  MPI_Comm_rank( MPI_COMM_WORLD, &worldRank );
66 > #ifdef IS_MPI
67 >  worldRank = MPI::COMM_WORLD.Get_rank();
68 > #else
69 >  worldRank = 0;
70   #endif
71   }
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;
80 –  char errorMsg[MAX_SIM_ERROR_MSG_LENGTH];
80    char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH];
81 + #endif
82    
83 <  strcpy(errorMsg, "OOPSE ");
83 >  strcpy(errorMsg, "OpenMD ");
84    switch( painCave.severity ) {
85 <  case OOPSE_WARNING:
86 <    strcat(errorMsg, "WARNING");
85 >  case OPENMD_WARNING:
86 >    strcat(errorMsg, "warning");
87      break;
88 <  case OOPSE_INFO:
89 <    strcat(errorMsg, "INFO");
88 >  case OPENMD_INFO:
89 >    strcat(errorMsg, "info");
90      break;
91    default:
92      if( painCave.isFatal ) {
# Line 96 | 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 <  }
124 <
125 >  }  
126    return 1;  
127   }
127 –
128 –  
129 – #ifdef IS_MPI
128  
129 < void MPIcheckPoint( void ){
129 >
130 > void errorCheckPoint( void ){
131    
132    int myError = 0;
133 <  int isError;
134 <
135 <  MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD );
136 <  if( isError ){
137 <    MPI_Finalize();
133 >  int isError = 0;
134 >  
135 > #ifdef IS_MPI
136 >  MPI::COMM_WORLD.Allreduce(&myError, &isError, 1, MPI::INT, MPI::LOR);
137 > #else
138 >  isError = myError;
139 > #endif
140 >  
141 >  if( isError ){    
142 > #ifdef IS_MPI
143 >    MPI::Finalize();
144 > #endif    
145      exit(0);
146    }
147 <
147 >  
148   #ifdef CHECKPOINT_VERBOSE  
149    nChecks++;
150 +
151 + #ifdef IS_MPI
152    if( worldRank == 0 ){
153 + #endif
154 +
155      fprintf(stderr,
156              "Checkpoint #%d reached: %s\n",
157              nChecks,
158              checkPointMsg );
159 + #ifdef IS_MPI
160    }
161 < #endif // CHECKPOINT_VERBOSE  
161 > #endif
162  
163 + #endif
164   }
165  
166 < #endif // IS_MPI
166 >

Comparing:
trunk/src/utils/simError.c (property svn:keywords), Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
trunk/src/utils/simError.cpp (property svn:keywords), Revision 1938 by gezelter, Thu Oct 31 15:32:17 2013 UTC

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