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add body support, change bonus buf to 1d so can be variable length

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This commit is contained in:
Steve Plimpton
2020-07-07 11:34:30 -06:00
parent 7918919d30
commit 955bff7c4e
20 changed files with 234 additions and 138 deletions
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26
src/write_data.cpp
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@ -658,16 +658,15 @@ void WriteData::impropers()
void WriteData::bonus(int flag)
{
// communication buffer for all my Bonus info
// maxrow X ncol = largest buffer needed by any proc
// maxvalues = largest buffer needed by any proc
int ncol = atom->avec->size_data_bonus_query(flag);
int sendrow = atom->avec->pack_data_bonus(NULL,flag);
int maxrow;
MPI_Allreduce(&sendrow,&maxrow,1,MPI_INT,MPI_MAX,world);
int nvalues = atom->avec->pack_data_bonus(NULL,flag);
int maxvalues;
MPI_Allreduce(&nvalues,&maxvalues,1,MPI_INT,MPI_MAX,world);
double **buf;
if (me == 0) memory->create(buf,MAX(1,maxrow),ncol,"write_data:buf");
else memory->create(buf,MAX(1,sendrow),ncol,"write_data:buf");
double *buf;
if (me == 0) memory->create(buf,MAX(1,maxvalues),"write_data:buf");
else memory->create(buf,MAX(1,nvalues),"write_data:buf");
// pack my bonus data into buf
@ -690,19 +689,18 @@ void WriteData::bonus(int flag)
for (int iproc = 0; iproc < nprocs; iproc++) {
if (iproc) {
MPI_Irecv(&buf[0][0],maxrow*ncol,MPI_DOUBLE,iproc,0,world,&request);
MPI_Irecv(buf,maxvalues,MPI_DOUBLE,iproc,0,world,&request);
MPI_Send(&tmp,0,MPI_INT,iproc,0,world);
MPI_Wait(&request,&status);
MPI_Get_count(&status,MPI_DOUBLE,&recvrow);
recvrow /= ncol;
} else recvrow = sendrow;
MPI_Get_count(&status,MPI_DOUBLE,&nvalues);
}
atom->avec->write_data_bonus(fp,recvrow,buf,flag);
atom->avec->write_data_bonus(fp,nvalues,buf,flag);
}
} else {
MPI_Recv(&tmp,0,MPI_INT,0,0,world,MPI_STATUS_IGNORE);
MPI_Rsend(&buf[0][0],sendrow*ncol,MPI_DOUBLE,0,0,world);
MPI_Rsend(buf,nvalues,MPI_DOUBLE,0,0,world);
}
memory->destroy(buf);