--- trunk/OOPSE/libmdtools/DUFF.cpp 2004/01/13 23:01:43 941 +++ trunk/OOPSE/libmdtools/DUFF.cpp 2004/01/22 17:34:20 976 @@ -477,7 +477,7 @@ DUFF::DUFF(){ // Init the atomStruct mpi type atomStruct atomProto; // mpiPrototype - int atomBC[3] = {15,11,4}; // block counts + int atomBC[3] = {15,12,5}; // block counts MPI_Aint atomDspls[3]; // displacements MPI_Datatype atomMbrTypes[3]; // member mpi types @@ -730,8 +730,6 @@ void DUFF::readParams( void ){ currentAtomType = headAtomType->next; //skip the first element who is a place holder. while( currentAtomType != NULL ){ currentAtomType->duplicate( atomInfo ); - - sendFrcStruct( &atomInfo, mpiAtomStructType ); @@ -750,21 +748,19 @@ void DUFF::readParams( void ){ else{ // listen for node 0 to send out the force params - + MPIcheckPoint(); headAtomType = new LinkedAtomType; - recieveFrcStruct( &atomInfo, mpiAtomStructType ); + receiveFrcStruct( &atomInfo, mpiAtomStructType ); while( !atomInfo.last ){ - - headAtomType->add( atomInfo ); MPIcheckPoint(); - recieveFrcStruct( &atomInfo, mpiAtomStructType ); + receiveFrcStruct( &atomInfo, mpiAtomStructType ); } } @@ -898,11 +894,11 @@ void DUFF::readParams( void ){ MPIcheckPoint(); headBondType = new LinkedBondType; - recieveFrcStruct( &bondInfo, mpiBondStructType ); + receiveFrcStruct( &bondInfo, mpiBondStructType ); while( !bondInfo.last ){ headBondType->add( bondInfo ); - recieveFrcStruct( &bondInfo, mpiBondStructType ); + receiveFrcStruct( &bondInfo, mpiBondStructType ); } } @@ -981,11 +977,11 @@ void DUFF::readParams( void ){ MPIcheckPoint(); headBendType = new LinkedBendType; - recieveFrcStruct( &bendInfo, mpiBendStructType ); + receiveFrcStruct( &bendInfo, mpiBendStructType ); while( !bendInfo.last ){ headBendType->add( bendInfo ); - recieveFrcStruct( &bendInfo, mpiBendStructType ); + receiveFrcStruct( &bendInfo, mpiBendStructType ); } } @@ -1066,11 +1062,11 @@ void DUFF::readParams( void ){ MPIcheckPoint(); headTorsionType = new LinkedTorsionType; - recieveFrcStruct( &torsionInfo, mpiTorsionStructType ); + receiveFrcStruct( &torsionInfo, mpiTorsionStructType ); while( !torsionInfo.last ){ headTorsionType->add( torsionInfo ); - recieveFrcStruct( &torsionInfo, mpiTorsionStructType ); + receiveFrcStruct( &torsionInfo, mpiTorsionStructType ); } }