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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6334 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-06-08 18:16:41 +00:00
parent 34b5e9bb74
commit 1c3275156a
5 changed files with 161 additions and 70 deletions
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83
src/comm.cpp
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@ -28,10 +28,12 @@
#include "pair.h"
#include "domain.h"
#include "neighbor.h"
#include "group.h"
#include "modify.h"
#include "fix.h"
#include "group.h"
#include "compute.h"
#include "output.h"
#include "dump.h"
#include "error.h"
#include "memory.h"
@ -82,9 +84,6 @@ Comm::Comm(LAMMPS *lmp) : Pointers(lmp)
maxsendlist[i] = BUFMIN;
memory->create(sendlist[i],BUFMIN,"comm:sendlist[i]");
}
maxforward_fix = maxreverse_fix = 0;
maxforward_pair = maxreverse_pair = 0;
}
/* ---------------------------------------------------------------------- */
@ -188,7 +187,7 @@ void Comm::init()
// maxforward = # of datums in largest forward communication
// maxreverse = # of datums in largest reverse communication
// query pair,fix,compute for their requirements
// query pair,fix,compute,dump for their requirements
maxforward = MAX(size_forward,size_border);
maxreverse = size_reverse;
@ -206,6 +205,11 @@ void Comm::init()
maxreverse = MAX(maxreverse,modify->compute[i]->comm_reverse);
}
for (int i = 0; i < output->ndump; i++) {
maxforward = MAX(maxforward,output->dump[i]->comm_forward);
maxreverse = MAX(maxreverse,output->dump[i]->comm_reverse);
}
if (force->newton == 0) maxreverse = 0;
// memory for multi-style communication
@ -1005,6 +1009,75 @@ void Comm::reverse_comm_compute(Compute *compute)
}
}
/* ----------------------------------------------------------------------
forward communication invoked by a Dump
------------------------------------------------------------------------- */
void Comm::forward_comm_dump(Dump *dump)
{
int iswap,n;
double *buf;
MPI_Request request;
MPI_Status status;
for (iswap = 0; iswap < nswap; iswap++) {
// pack buffer
n = dump->pack_comm(sendnum[iswap],sendlist[iswap],
buf_send,pbc_flag[iswap],pbc[iswap]);
// exchange with another proc
// if self, set recv buffer to send buffer
if (sendproc[iswap] != me) {
MPI_Irecv(buf_recv,n*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,
world,&request);
MPI_Send(buf_send,n*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,world);
MPI_Wait(&request,&status);
buf = buf_recv;
} else buf = buf_send;
// unpack buffer
dump->unpack_comm(recvnum[iswap],firstrecv[iswap],buf);
}
}
/* ----------------------------------------------------------------------
reverse communication invoked by a Dump
------------------------------------------------------------------------- */
void Comm::reverse_comm_dump(Dump *dump)
{
int iswap,n;
double *buf;
MPI_Request request;
MPI_Status status;
for (iswap = nswap-1; iswap >= 0; iswap--) {
// pack buffer
n = dump->pack_reverse_comm(recvnum[iswap],firstrecv[iswap],buf_send);
// exchange with another proc
// if self, set recv buffer to send buffer
if (sendproc[iswap] != me) {
MPI_Irecv(buf_recv,n*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,
world,&request);
MPI_Send(buf_send,n*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,world);
MPI_Wait(&request,&status);
buf = buf_recv;
} else buf = buf_send;
// unpack buffer
dump->unpack_reverse_comm(sendnum[iswap],sendlist[iswap],buf);
}
}
/* ----------------------------------------------------------------------
assign nprocs to 3d xprd,yprd,zprd box so as to minimize surface area
area = surface area of each of 3 faces of simulation box