| 1 | + | /* | 
| 2 | + | * 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. Redistributions of source code must retain the above copyright | 
| 10 | + | *    notice, this list of conditions and the following disclaimer. | 
| 11 | + | * | 
| 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. | 
| 16 | + | * | 
| 17 | + | * This software is provided "AS IS," without a warranty of any | 
| 18 | + | * kind. All express or implied conditions, representations and | 
| 19 | + | * warranties, including any implied warranty of merchantability, | 
| 20 | + | * fitness for a particular purpose or non-infringement, are hereby | 
| 21 | + | * excluded.  The University of Notre Dame and its licensors shall not | 
| 22 | + | * be liable for any damages suffered by licensee as a result of | 
| 23 | + | * using, modifying or distributing the software or its | 
| 24 | + | * derivatives. In no event will the University of Notre Dame or its | 
| 25 | + | * licensors be liable for any lost revenue, profit or data, or for | 
| 26 | + | * direct, indirect, special, consequential, incidental or punitive | 
| 27 | + | * damages, however caused and regardless of the theory of liability, | 
| 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, 24107 (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 | + |  | 
| 43 |  | #include <stdlib.h> | 
| 44 |  | #include <stdio.h> | 
| 45 |  | #include <string.h> | 
| 46 |  | #include "config.h" | 
| 5 | – |  | 
| 47 |  | #ifdef  IS_MPI | 
| 48 |  | #include <mpi.h> | 
| 49 | + | #endif | 
| 50 |  |  | 
| 51 |  | int nChecks; | 
| 10 | – | #endif // IS_MPI | 
| 52 |  |  | 
| 53 |  | #include "utils/simError.h" | 
| 54 |  |  | 
| 55 |  | errorStruct painCave; | 
| 56 |  |  | 
| 16 | – | #ifdef IS_MPI | 
| 17 | – |  | 
| 57 |  | char checkPointMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
| 58 |  | int worldRank; | 
| 59 |  |  | 
| 21 | – | #endif | 
| 22 | – |  | 
| 23 | – |  | 
| 60 |  | void initSimError( void ){ | 
| 61 |  | painCave.errMsg[0] = '\0'; | 
| 62 |  | painCave.isFatal = 0; | 
| 63 | < | painCave.severity = OOPSE_ERROR; | 
| 28 | < | #ifdef IS_MPI | 
| 63 | > | painCave.severity = OPENMD_ERROR; | 
| 64 |  | painCave.isEventLoop = 0; | 
| 65 |  | nChecks = 0; | 
| 66 | + | #ifdef IS_MPI | 
| 67 |  | MPI_Comm_rank( MPI_COMM_WORLD, &worldRank ); | 
| 68 | + | #else | 
| 69 | + | worldRank = 0; | 
| 70 |  | #endif | 
| 71 |  | } | 
| 72 |  |  | 
| 77 |  | char errorMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
| 78 |  | char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
| 79 |  |  | 
| 80 | < | strcpy(errorMsg, "OOPSE "); | 
| 80 | > | strcpy(errorMsg, "OpenMD "); | 
| 81 |  | switch( painCave.severity ) { | 
| 82 | < | case OOPSE_WARNING: | 
| 83 | < | strcat(errorMsg, "WARNING"); | 
| 82 | > | case OPENMD_WARNING: | 
| 83 | > | strcat(errorMsg, "warning"); | 
| 84 |  | break; | 
| 85 | < | case OOPSE_INFO: | 
| 86 | < | strcat(errorMsg, "INFO"); | 
| 85 | > | case OPENMD_INFO: | 
| 86 | > | strcat(errorMsg, "info"); | 
| 87 |  | break; | 
| 88 |  | default: | 
| 89 |  | if( painCave.isFatal ) { | 
| 93 |  | } | 
| 94 |  |  | 
| 95 |  | #ifdef IS_MPI | 
| 96 | < | if ( painCave.isEventLoop ) { | 
| 97 | < | sprintf( nodeMsg, " (reported by MPI node %d)", worldRank); | 
| 98 | < | strncat(errorMsg, nodeMsg, strlen(nodeMsg)); | 
| 99 | < | } | 
| 96 | > | if (worldRank == 0) { | 
| 97 | > | if ( painCave.isEventLoop ) { | 
| 98 | > | sprintf( nodeMsg, " (reported by MPI node %d)", worldRank); | 
| 99 | > | strncat(errorMsg, nodeMsg, strlen(nodeMsg)); | 
| 100 | > | } | 
| 101 |  | #endif | 
| 102 | < |  | 
| 103 | < | strcat(errorMsg, ":\n\t"); | 
| 104 | < |  | 
| 105 | < | strncat(errorMsg, painCave.errMsg, strlen(painCave.errMsg)); | 
| 106 | < |  | 
| 107 | < | strcat(errorMsg, "\n"); | 
| 108 | < | fprintf(stderr, errorMsg); | 
| 109 | < |  | 
| 102 | > |  | 
| 103 | > | strcat(errorMsg, ":\n\t"); | 
| 104 | > |  | 
| 105 | > | strncat(errorMsg, painCave.errMsg, strlen(painCave.errMsg)); | 
| 106 | > |  | 
| 107 | > | strcat(errorMsg, "\n"); | 
| 108 | > | fprintf(stderr, "%s", errorMsg); | 
| 109 | > |  | 
| 110 |  | #ifdef IS_MPI | 
| 111 | < | if (painCave.isEventLoop) | 
| 112 | < | return 1; | 
| 111 | > | if (painCave.isEventLoop) | 
| 112 | > | return 1; | 
| 113 | > | } | 
| 114 |  | #endif | 
| 115 |  |  | 
| 116 |  | if (painCave.isFatal) { | 
| 124 |  | return 1; | 
| 125 |  | } | 
| 126 |  |  | 
| 87 | – |  | 
| 88 | – | #ifdef IS_MPI | 
| 127 |  |  | 
| 128 | < | void MPIcheckPoint( void ){ | 
| 129 | < |  | 
| 128 | > | void errorCheckPoint( void ){ | 
| 129 | > |  | 
| 130 |  | int myError = 0; | 
| 131 | < | int isError; | 
| 131 | > | int isError = 0; | 
| 132 |  |  | 
| 133 | + | #ifdef IS_MPI | 
| 134 |  | MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD ); | 
| 135 | + | #else | 
| 136 | + | isError = myError; | 
| 137 | + | #endif | 
| 138 | + |  | 
| 139 |  | if( isError ){ | 
| 140 | + |  | 
| 141 | + | #ifdef IS_MPI | 
| 142 |  | MPI_Finalize(); | 
| 143 | + | #endif | 
| 144 | + |  | 
| 145 |  | exit(0); | 
| 146 |  | } | 
| 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 | > |  |