36 |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
37 |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
38 |
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* [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> |
73 |
|
int simError( void ) { |
74 |
|
|
75 |
|
int myError = 1; |
75 |
– |
int isError; |
76 |
|
char errorMsg[MAX_SIM_ERROR_MSG_LENGTH]; |
77 |
+ |
|
78 |
+ |
#ifdef IS_MPI |
79 |
+ |
int isError; |
80 |
|
char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH]; |
81 |
+ |
#endif |
82 |
|
|
83 |
|
strcpy(errorMsg, "OpenMD "); |
84 |
|
switch( painCave.severity ) { |