| 1 | gezelter | 507 | /* | 
| 2 | gezelter | 246 | * 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 | gezelter | 1390 | * 1. Redistributions of source code must retain the above copyright | 
| 10 | gezelter | 246 | *    notice, this list of conditions and the following disclaimer. | 
| 11 |  |  | * | 
| 12 | gezelter | 1390 | * 2. Redistributions in binary form must reproduce the above copyright | 
| 13 | gezelter | 246 | *    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 | gezelter | 1390 | * | 
| 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 | gezelter | 1665 | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 |  |  | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 | gezelter | 246 | */ | 
| 42 |  |  |  | 
| 43 | gezelter | 2 | #include <stdlib.h> | 
| 44 |  |  | #include <stdio.h> | 
| 45 |  |  | #include <string.h> | 
| 46 |  |  | #include "config.h" | 
| 47 |  |  | #ifdef  IS_MPI | 
| 48 |  |  | #include <mpi.h> | 
| 49 | gezelter | 1241 | #endif | 
| 50 | gezelter | 2 |  | 
| 51 |  |  | int nChecks; | 
| 52 |  |  |  | 
| 53 | tim | 3 | #include "utils/simError.h" | 
| 54 | gezelter | 2 |  | 
| 55 |  |  | errorStruct painCave; | 
| 56 |  |  |  | 
| 57 |  |  | char checkPointMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
| 58 |  |  | int worldRank; | 
| 59 |  |  |  | 
| 60 |  |  | void initSimError( void ){ | 
| 61 |  |  | painCave.errMsg[0] = '\0'; | 
| 62 |  |  | painCave.isFatal = 0; | 
| 63 | gezelter | 1390 | painCave.severity = OPENMD_ERROR; | 
| 64 | gezelter | 2 | painCave.isEventLoop = 0; | 
| 65 |  |  | nChecks = 0; | 
| 66 | gezelter | 1241 | #ifdef IS_MPI | 
| 67 | gezelter | 1798 | worldRank = MPI::COMM_WORLD.Get_rank(); | 
| 68 | gezelter | 1241 | #else | 
| 69 |  |  | worldRank = 0; | 
| 70 | gezelter | 2 | #endif | 
| 71 |  |  | } | 
| 72 |  |  |  | 
| 73 |  |  | int simError( void ) { | 
| 74 |  |  |  | 
| 75 |  |  | int myError = 1; | 
| 76 | gezelter | 1767 | char errorMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
| 77 |  |  |  | 
| 78 |  |  | #ifdef IS_MPI | 
| 79 | gezelter | 2 | int isError; | 
| 80 |  |  | char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
| 81 | gezelter | 1767 | #endif | 
| 82 | gezelter | 2 |  | 
| 83 | gezelter | 1390 | strcpy(errorMsg, "OpenMD "); | 
| 84 | gezelter | 2 | switch( painCave.severity ) { | 
| 85 | gezelter | 1390 | case OPENMD_WARNING: | 
| 86 |  |  | strcat(errorMsg, "warning"); | 
| 87 | gezelter | 2 | break; | 
| 88 | gezelter | 1390 | case OPENMD_INFO: | 
| 89 |  |  | strcat(errorMsg, "info"); | 
| 90 | gezelter | 2 | break; | 
| 91 |  |  | default: | 
| 92 |  |  | if( painCave.isFatal ) { | 
| 93 |  |  | strcat(errorMsg, "FATAL "); | 
| 94 |  |  | } | 
| 95 |  |  | strcat(errorMsg, "ERROR"); | 
| 96 |  |  | } | 
| 97 |  |  |  | 
| 98 |  |  | #ifdef IS_MPI | 
| 99 | gezelter | 1590 | if (worldRank == 0) { | 
| 100 |  |  | if ( painCave.isEventLoop ) { | 
| 101 |  |  | sprintf( nodeMsg, " (reported by MPI node %d)", worldRank); | 
| 102 |  |  | strncat(errorMsg, nodeMsg, strlen(nodeMsg)); | 
| 103 |  |  | } | 
| 104 | gezelter | 2 | #endif | 
| 105 | gezelter | 1590 |  | 
| 106 |  |  | strcat(errorMsg, ":\n\t"); | 
| 107 |  |  |  | 
| 108 |  |  | strncat(errorMsg, painCave.errMsg, strlen(painCave.errMsg)); | 
| 109 |  |  |  | 
| 110 |  |  | strcat(errorMsg, "\n"); | 
| 111 | gezelter | 1600 | fprintf(stderr, "%s", errorMsg); | 
| 112 | gezelter | 1590 |  | 
| 113 | gezelter | 2 | #ifdef IS_MPI | 
| 114 | gezelter | 1590 | if (painCave.isEventLoop) | 
| 115 |  |  | return 1; | 
| 116 |  |  | } | 
| 117 | gezelter | 2 | #endif | 
| 118 |  |  |  | 
| 119 |  |  | if (painCave.isFatal) { | 
| 120 |  |  | #ifdef IS_MPI | 
| 121 | gezelter | 1798 | MPI::COMM_WORLD.Allreduce(&myError, &isError, 1, MPI::INT, MPI::LOR); | 
| 122 |  |  | MPI::Finalize(); | 
| 123 | gezelter | 2 | #endif | 
| 124 |  |  | exit(0); | 
| 125 | gezelter | 1798 | } | 
| 126 | gezelter | 2 | return 1; | 
| 127 |  |  | } | 
| 128 |  |  |  | 
| 129 | gezelter | 1798 |  | 
| 130 | gezelter | 1241 | void errorCheckPoint( void ){ | 
| 131 | gezelter | 1798 |  | 
| 132 | gezelter | 2 | int myError = 0; | 
| 133 | gezelter | 1313 | int isError = 0; | 
| 134 | gezelter | 1798 |  | 
| 135 | gezelter | 1241 | #ifdef IS_MPI | 
| 136 | gezelter | 1798 | MPI::COMM_WORLD.Allreduce(&myError, &isError, 1, MPI::INT, MPI::LOR); | 
| 137 | gezelter | 1241 | #else | 
| 138 |  |  | isError = myError; | 
| 139 |  |  | #endif | 
| 140 | gezelter | 1798 |  | 
| 141 |  |  | if( isError ){ | 
| 142 | gezelter | 1241 | #ifdef IS_MPI | 
| 143 | gezelter | 1798 | MPI::Finalize(); | 
| 144 |  |  | #endif | 
| 145 | gezelter | 2 | exit(0); | 
| 146 |  |  | } | 
| 147 | gezelter | 1798 |  | 
| 148 | gezelter | 2 | #ifdef CHECKPOINT_VERBOSE | 
| 149 |  |  | nChecks++; | 
| 150 | gezelter | 1241 |  | 
| 151 |  |  | #ifdef IS_MPI | 
| 152 | gezelter | 2 | if( worldRank == 0 ){ | 
| 153 | gezelter | 1241 | #endif | 
| 154 |  |  |  | 
| 155 | gezelter | 2 | fprintf(stderr, | 
| 156 |  |  | "Checkpoint #%d reached: %s\n", | 
| 157 |  |  | nChecks, | 
| 158 |  |  | checkPointMsg ); | 
| 159 | gezelter | 1241 | #ifdef IS_MPI | 
| 160 | gezelter | 2 | } | 
| 161 | gezelter | 1241 | #endif | 
| 162 |  |  |  | 
| 163 | tim | 564 | #endif | 
| 164 | gezelter | 2 | } | 
| 165 |  |  |  | 
| 166 | gezelter | 1241 |  |