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/* | 
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 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | 
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 * | 
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 * The University of Notre Dame grants you ("Licensee") a | 
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 * non-exclusive, royalty free, license to use, modify and | 
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 * redistribute this software in source and binary code form, provided | 
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 * that the following conditions are met: | 
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 * | 
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 * 1. Redistributions of source code must retain the above copyright | 
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 *    notice, this list of conditions and the following disclaimer. | 
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 * | 
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 * 2. Redistributions in binary form must reproduce the above copyright | 
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 *    notice, this list of conditions and the following disclaimer in the | 
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 *    documentation and/or other materials provided with the | 
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 *    distribution. | 
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 * | 
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 * This software is provided "AS IS," without a warranty of any | 
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 * kind. All express or implied conditions, representations and | 
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 * warranties, including any implied warranty of merchantability, | 
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 * fitness for a particular purpose or non-infringement, are hereby | 
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 * excluded.  The University of Notre Dame and its licensors shall not | 
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 * be liable for any damages suffered by licensee as a result of | 
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 * using, modifying or distributing the software or its | 
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 * derivatives. In no event will the University of Notre Dame or its | 
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 * licensors be liable for any lost revenue, profit or data, or for | 
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 * direct, indirect, special, consequential, incidental or punitive | 
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 * damages, however caused and regardless of the theory of liability, | 
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 * arising out of the use of or inability to use software, even if the | 
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 * University of Notre Dame has been advised of the possibility of | 
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 * such damages. | 
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 * | 
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 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your | 
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 * research, please cite the appropriate papers when you publish your | 
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 * work.  Good starting points are: | 
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 *                                                                       | 
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 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).              | 
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 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).           | 
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 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).           | 
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 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
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 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
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 */ | 
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  | 
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#include <stdlib.h> | 
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#include <stdio.h> | 
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#include <string.h> | 
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#include "config.h" | 
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#ifdef  IS_MPI | 
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#include <mpi.h> | 
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#endif | 
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int nChecks; | 
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#include "utils/simError.h" | 
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errorStruct painCave; | 
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char checkPointMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
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int worldRank; | 
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void initSimError( void ){ | 
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  painCave.errMsg[0] = '\0'; | 
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  painCave.isFatal = 0; | 
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  painCave.severity = OPENMD_ERROR; | 
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  painCave.isEventLoop = 0; | 
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  nChecks = 0; | 
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#ifdef IS_MPI | 
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  MPI_Comm_rank( MPI_COMM_WORLD, &worldRank ); | 
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#else | 
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  worldRank = 0; | 
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#endif | 
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} | 
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int simError( void ) { | 
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   | 
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  int myError = 1; | 
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  char errorMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
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#ifdef IS_MPI | 
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  int isError; | 
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  char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH]; | 
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#endif | 
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   | 
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  strcpy(errorMsg, "OpenMD "); | 
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  switch( painCave.severity ) { | 
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  case OPENMD_WARNING: | 
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    strcat(errorMsg, "warning"); | 
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    break; | 
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  case OPENMD_INFO: | 
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    strcat(errorMsg, "info"); | 
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    break; | 
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  default: | 
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    if( painCave.isFatal ) { | 
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      strcat(errorMsg, "FATAL "); | 
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    } | 
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    strcat(errorMsg, "ERROR"); | 
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  } | 
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#ifdef IS_MPI | 
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  if (worldRank == 0) { | 
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    if ( painCave.isEventLoop ) { | 
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      sprintf( nodeMsg, " (reported by MPI node %d)", worldRank); | 
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      strncat(errorMsg, nodeMsg, strlen(nodeMsg)); | 
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    } | 
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#endif | 
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     | 
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    strcat(errorMsg, ":\n\t"); | 
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    strncat(errorMsg, painCave.errMsg, strlen(painCave.errMsg)); | 
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    strcat(errorMsg, "\n"); | 
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    fprintf(stderr, "%s", errorMsg); | 
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#ifdef IS_MPI | 
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    if (painCave.isEventLoop)  | 
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      return 1; | 
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  } | 
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#endif    | 
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  if (painCave.isFatal) { | 
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#ifdef IS_MPI     | 
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    MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD ); | 
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    MPI_Finalize(); | 
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#endif | 
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    exit(0); | 
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  }  | 
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  return 1;   | 
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} | 
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void errorCheckPoint( void ){ | 
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  int myError = 0; | 
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  int isError = 0; | 
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#ifdef IS_MPI | 
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  MPI_Allreduce( &myError, &isError, 1, MPI_INT, MPI_LOR, MPI_COMM_WORLD ); | 
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#else | 
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  isError = myError; | 
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#endif | 
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  if( isError ){ | 
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#ifdef IS_MPI | 
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    MPI_Finalize(); | 
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#endif | 
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    exit(0); | 
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  } | 
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#ifdef CHECKPOINT_VERBOSE   | 
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  nChecks++; | 
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#ifdef IS_MPI | 
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  if( worldRank == 0 ){ | 
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#endif | 
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    fprintf(stderr, | 
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            "Checkpoint #%d reached: %s\n", | 
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            nChecks, | 
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            checkPointMsg ); | 
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#ifdef IS_MPI | 
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  } | 
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#endif | 
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#endif  | 
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} | 
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