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molds: Commit


Commit MetaInfo

Revision1835 (tree)
Time2016-12-14 09:18:36
Authormikiya_fujii

Log Message

Molecule::CalcDistanceAtoms is hybrid(MPI/openMP) re-parallelized. #30947 #29965

Change Summary

Incremental Difference

--- trunk/src/base/Molecule.cpp (revision 1834)
+++ trunk/src/base/Molecule.cpp (revision 1835)
@@ -464,15 +464,10 @@
464464 if(mpiRank != mpiHeadRank && mpiRank == calcRank){
465465 asyncCommunicator.SetSentMessage(buff, num, dest, tag);
466466 }
467- //asyncCommunicator.SetBroadcastedMessage(buff, num, mpiHeadRank);
467+ asyncCommunicator.SetBroadcastedMessage(buff, num, mpiHeadRank);
468468 }
469469 asyncCommunicator.Finalize();
470470 communicationThread.join();
471- for(int a=0; a<this->atomVect->size(); a++){
472- int num = this->atomVect->size() - a;
473- double* buff = &this->distanceAtoms[a][a];
474- MolDS_mpi::MpiProcess::GetInstance()->Broadcast(buff, num, mpiHeadRank);
475- }
476471 #pragma omp parallel for schedule(dynamic, MOLDS_OMP_DYNAMIC_CHUNK_SIZE)
477472 for(int a=0; a<this->atomVect->size(); a++){
478473 for(int b=a; b<this->atomVect->size(); b++){
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