提交: 6143ac1f55dcf3417239369f9f30e8e856643553 - MolDS (git)

Commit MetaInfo

• 修订版: 6143ac1f55dcf3417239369f9f30e8e856643553 (tree)
• 时间: 2013-07-10 19:30:05
• 作者: Mikiya Fujii <mikiya.fujii@gmai...>
• Commiter: Mikiya Fujii

Log Message

Rappers of MPI-send and recv are added. #31588

git-svn-id: https://svn.sourceforge.jp/svnroot/molds/branches/mpi-cis@1375 1136aad2-a195-0410-b898-f5ea1d11b9d8

更改概述

• modified: src/mpi/MpiProcess.h
• modified: src/zindo/ZindoS.cpp

差异

--- a/src/mpi/MpiProcess.h
+++ b/src/mpi/MpiProcess.h
@@ -27,8 +27,10 @@ public:
    static void        DeleteInstance();
    static MpiProcess* GetInstance();
    boost::mpi::communicator* GetCommunicator() const{ return this->communicator;}
-   int GetRank(){return this->communicator->rank();}
-   int GetSize(){return this->communicator->size();}
+   int GetRank() const{return this->communicator->rank();}
+   int GetSize() const{return this->communicator->size();}
+   template<typename T> void Send(int dest, int tag, const T* values, int n) const{this->communicator->send(dest, tag, values, n);}
+   template<typename T> void Recv(int source, int tag, T* values, int n) const{this->communicator->recv(source, tag, values, n);}
 private:
    static MpiProcess* mpiProcess;
    MpiProcess();

--- a/src/zindo/ZindoS.cpp
+++ b/src/zindo/ZindoS.cpp
@@ -1251,7 +1251,7 @@ void ZindoS::CalcCISProperties(){
          if(k%mpiSize == 0){continue;}
          int source = k%mpiSize;
          int tag = k;
-         world->recv(source, tag, &this->electronicTransitionDipoleMoments[k][0][0], numTransported);
+         MolDS_mpi::MpiProcess::GetInstance()->Recv(source, tag, &this->electronicTransitionDipoleMoments[k][0][0], numTransported);
       }
    }
    else{
@@ -1260,7 +1260,7 @@ void ZindoS::CalcCISProperties(){
          if(k%mpiSize != mpiRank){continue;}
          int dest = 0;
          int tag = k;
-         world->send(dest, tag, &this->electronicTransitionDipoleMoments[k][0][0], numTransported);
+         MolDS_mpi::MpiProcess::GetInstance()->Send(dest, tag, &this->electronicTransitionDipoleMoments[k][0][0], numTransported);
       }
    }
 
@@ -2403,7 +2403,7 @@ void ZindoS::CalcCISMatrix(double** matrixCIS) const{
          if(k%mpiSize == 0){continue;}
          int source = k%mpiSize;
          int tag = k;
-         world->recv(source, tag, matrixCIS[k], this->matrixCISdimension);
+         MolDS_mpi::MpiProcess::GetInstance()->Recv(source, tag, matrixCIS[k], this->matrixCISdimension);
       }
    }
    else{
@@ -2412,7 +2412,7 @@ void ZindoS::CalcCISMatrix(double** matrixCIS) const{
          if(k%mpiSize != mpiRank){continue;}
          int dest = 0;
          int tag = k;
-         world->send(dest, tag, matrixCIS[k], this->matrixCISdimension);
+         MolDS_mpi::MpiProcess::GetInstance()->Send(dest, tag, matrixCIS[k], this->matrixCISdimension);
       }
    }