--- trunk/OOPSE/libmdtools/SimSetup.cpp 2003/09/23 20:34:31 782 +++ trunk/OOPSE/libmdtools/SimSetup.cpp 2003/09/25 19:27:15 787 @@ -90,7 +90,6 @@ void SimSetup::createSim(void){ #endif // is_mpi void SimSetup::createSim(void){ - int i, j, k, globalAtomIndex; // gather all of the information from the Bass file @@ -129,7 +128,7 @@ void SimSetup::makeMolecules(void){ void SimSetup::makeMolecules(void){ - int k, l; + int k; int i, j, exI, exJ, tempEx, stampID, atomOffset, excludeOffset; molInit molInfo; DirectionalAtom* dAtom; @@ -551,7 +550,7 @@ void SimSetup::gatherInfo(void){ void SimSetup::gatherInfo(void){ - int i, j, k; + int i; ensembleCase = -1; ffCase = -1; @@ -914,7 +913,6 @@ void SimSetup::initSystemCoords(void){ if (worldRank == 0){ #endif //is_mpi inName = globals->getInitialConfig(); - double* tempDouble = new double[1000000]; fileInit = new InitializeFromFile(inName); #ifdef IS_MPI } @@ -932,7 +930,7 @@ void SimSetup::initSystemCoords(void){ sprintf(painCave.errMsg, "Cannot intialize a parallel simulation without an initial configuration file.\n"); - painCave.isFatal; + painCave.isFatal = 1;; simError(); #else @@ -1158,7 +1156,7 @@ void SimSetup::calcSysValues(void){ } void SimSetup::calcSysValues(void){ - int i, j, k; + int i; int* molMembershipArray; @@ -1257,7 +1255,11 @@ void SimSetup::makeSysArrays(void){ void SimSetup::makeSysArrays(void){ - int i, j, k, l; + +#ifndef IS_MPI + int k, j; +#endif // is_mpi + int i, l; Atom** the_atoms; Molecule* the_molecules;