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root/group/trunk/OOPSE-4/src/utils/simError.c
Revision: 3470
Committed: Wed Oct 22 20:01:49 2008 UTC (15 years, 8 months ago) by gezelter
Content type: text/plain
File size: 4101 byte(s)
Log Message:
General bug-fixes and other changes to make particle pots work with
the Helfand Energy correlation function

File Contents

# User Rev Content
1 gezelter 2204 /*
2 gezelter 1930 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3     *
4     * The University of Notre Dame grants you ("Licensee") a
5     * non-exclusive, royalty free, license to use, modify and
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
19     * notice, this list of conditions and the following disclaimer.
20     *
21     * 3. Redistributions in binary form must reproduce the above copyright
22     * notice, this list of conditions and the following disclaimer in the
23     * documentation and/or other materials provided with the
24     * distribution.
25     *
26     * This software is provided "AS IS," without a warranty of any
27     * kind. All express or implied conditions, representations and
28     * warranties, including any implied warranty of merchantability,
29     * fitness for a particular purpose or non-infringement, are hereby
30     * excluded. The University of Notre Dame and its licensors shall not
31     * be liable for any damages suffered by licensee as a result of
32     * using, modifying or distributing the software or its
33     * derivatives. In no event will the University of Notre Dame or its
34     * licensors be liable for any lost revenue, profit or data, or for
35     * direct, indirect, special, consequential, incidental or punitive
36     * damages, however caused and regardless of the theory of liability,
37     * arising out of the use of or inability to use software, even if the
38     * University of Notre Dame has been advised of the possibility of
39     * such damages.
40     */
41    
42 gezelter 1490 #include <stdlib.h>
43     #include <stdio.h>
44     #include <string.h>
45     #include "config.h"
46     #ifdef IS_MPI
47     #include <mpi.h>
48 gezelter 3388 #endif
49 gezelter 1490
50     int nChecks;
51    
52 tim 1492 #include "utils/simError.h"
53 gezelter 1490
54     errorStruct painCave;
55    
56     char checkPointMsg[MAX_SIM_ERROR_MSG_LENGTH];
57     int worldRank;
58    
59     void initSimError( void ){
60     painCave.errMsg[0] = '\0';
61     painCave.isFatal = 0;
62     painCave.severity = OOPSE_ERROR;
63     painCave.isEventLoop = 0;
64     nChecks = 0;
65 gezelter 3388 #ifdef IS_MPI
66 gezelter 1490 MPI_Comm_rank( MPI_COMM_WORLD, &worldRank );
67 gezelter 3388 #else
68     worldRank = 0;
69 gezelter 1490 #endif
70     }
71    
72     int simError( void ) {
73    
74     int myError = 1;
75     int isError;
76     char errorMsg[MAX_SIM_ERROR_MSG_LENGTH];
77     char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH];
78    
79     strcpy(errorMsg, "OOPSE ");
80     switch( painCave.severity ) {
81     case OOPSE_WARNING:
82     strcat(errorMsg, "WARNING");
83     break;
84     case OOPSE_INFO:
85     strcat(errorMsg, "INFO");
86     break;
87     default:
88     if( painCave.isFatal ) {
89     strcat(errorMsg, "FATAL ");
90     }
91     strcat(errorMsg, "ERROR");
92     }
93    
94     #ifdef IS_MPI
95     if ( painCave.isEventLoop ) {
96     sprintf( nodeMsg, " (reported by MPI node %d)", worldRank);
97     strncat(errorMsg, nodeMsg, strlen(nodeMsg));
98     }
99     #endif
100    
101     strcat(errorMsg, ":\n\t");
102    
103     strncat(errorMsg, painCave.errMsg, strlen(painCave.errMsg));
104    
105     strcat(errorMsg, "\n");
106     fprintf(stderr, errorMsg);
107    
108     #ifdef IS_MPI
109     if (painCave.isEventLoop)
110     return 1;
111     #endif
112    
113     if (painCave.isFatal) {
114     #ifdef IS_MPI
115     MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD );
116     MPI_Finalize();
117     #endif
118     exit(0);
119     }
120    
121     return 1;
122     }
123    
124    
125 gezelter 3388 void errorCheckPoint( void ){
126    
127 gezelter 1490 int myError = 0;
128 gezelter 3470 int isError = 0;
129 gezelter 1490
130 gezelter 3388 #ifdef IS_MPI
131 gezelter 1490 MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD );
132 gezelter 3388 #else
133     isError = myError;
134     #endif
135    
136 gezelter 1490 if( isError ){
137 gezelter 3388
138     #ifdef IS_MPI
139 gezelter 1490 MPI_Finalize();
140 gezelter 3388 #endif
141    
142 gezelter 1490 exit(0);
143     }
144    
145     #ifdef CHECKPOINT_VERBOSE
146     nChecks++;
147 gezelter 3388
148     #ifdef IS_MPI
149 gezelter 1490 if( worldRank == 0 ){
150 gezelter 3388 #endif
151    
152 gezelter 1490 fprintf(stderr,
153     "Checkpoint #%d reached: %s\n",
154     nChecks,
155     checkPointMsg );
156 gezelter 3388 #ifdef IS_MPI
157 gezelter 1490 }
158 gezelter 3388 #endif
159    
160 tim 2263 #endif
161 gezelter 1490 }
162    
163 gezelter 3388