| 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] Vardeman & Gezelter, in progress (2009). |
| 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> |
| 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) { |
