--- trunk/src/utils/simError.cpp 2012/09/10 18:38:44 1796 +++ trunk/src/utils/simError.cpp 2013/10/31 15:32:17 1938 @@ -35,18 +35,18 @@ * * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). - * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ +#ifdef IS_MPI +#include +#endif #include #include #include #include "config.h" -#ifdef IS_MPI -#include -#endif int nChecks; @@ -72,10 +72,10 @@ int simError( void ) { int simError( void ) { - int myError = 1; char errorMsg[MAX_SIM_ERROR_MSG_LENGTH]; #ifdef IS_MPI + int myError = 1; int isError; char nodeMsg[MAX_SIM_ERROR_MSG_LENGTH]; #endif