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Adding files for BPM

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This commit is contained in:
Joel Thomas Clemmer
2021-08-27 09:22:56 -06:00
parent 3404920e98
commit bb720626e3
87 changed files with 5392 additions and 905 deletions
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94
src/comm_tiled.cpp
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@ -21,6 +21,7 @@
#include "atom.h"
#include "atom_vec.h"
#include "bond.h"
#include "compute.h"
#include "domain.h"
#include "dump.h"
@ -1464,6 +1465,99 @@ void CommTiled::reverse_comm_pair(Pair *pair)
}
}
/* ----------------------------------------------------------------------
forward communication invoked by a Bond
nsize used only to set recv buffer limit
------------------------------------------------------------------------- */
void CommTiled::forward_comm_bond(Bond *bond)
{
int i,irecv,n,nsend,nrecv;
int nsize = bond->comm_forward;
for (int iswap = 0; iswap < nswap; iswap++) {
nsend = nsendproc[iswap] - sendself[iswap];
nrecv = nrecvproc[iswap] - sendself[iswap];
if (recvother[iswap]) {
for (i = 0; i < nrecv; i++)
MPI_Irecv(&buf_recv[nsize*forward_recv_offset[iswap][i]],
nsize*recvnum[iswap][i],
MPI_DOUBLE,recvproc[iswap][i],0,world,&requests[i]);
}
if (sendother[iswap]) {
for (i = 0; i < nsend; i++) {
n = bond->pack_forward_comm(sendnum[iswap][i],sendlist[iswap][i],
buf_send,pbc_flag[iswap][i],pbc[iswap][i]);
MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap][i],0,world);
}
}
if (sendself[iswap]) {
bond->pack_forward_comm(sendnum[iswap][nsend],sendlist[iswap][nsend],
buf_send,pbc_flag[iswap][nsend],
pbc[iswap][nsend]);
bond->unpack_forward_comm(recvnum[iswap][nrecv],firstrecv[iswap][nrecv],
buf_send);
}
if (recvother[iswap]) {
for (i = 0; i < nrecv; i++) {
MPI_Waitany(nrecv,requests,&irecv,MPI_STATUS_IGNORE);
bond->unpack_forward_comm(recvnum[iswap][irecv],firstrecv[iswap][irecv],
&buf_recv[nsize*
forward_recv_offset[iswap][irecv]]);
}
}
}
}
/* ----------------------------------------------------------------------
reverse communication invoked by a Bond
nsize used only to set recv buffer limit
------------------------------------------------------------------------- */
void CommTiled::reverse_comm_bond(Bond *bond)
{
int i,irecv,n,nsend,nrecv;
int nsize = MAX(bond->comm_reverse,bond->comm_reverse_off);
for (int iswap = nswap-1; iswap >= 0; iswap--) {
nsend = nsendproc[iswap] - sendself[iswap];
nrecv = nrecvproc[iswap] - sendself[iswap];
if (sendother[iswap]) {
for (i = 0; i < nsend; i++)
MPI_Irecv(&buf_recv[nsize*reverse_recv_offset[iswap][i]],
nsize*sendnum[iswap][i],MPI_DOUBLE,
sendproc[iswap][i],0,world,&requests[i]);
}
if (recvother[iswap]) {
for (i = 0; i < nrecv; i++) {
n = bond->pack_reverse_comm(recvnum[iswap][i],firstrecv[iswap][i],
buf_send);
MPI_Send(buf_send,n,MPI_DOUBLE,recvproc[iswap][i],0,world);
}
}
if (sendself[iswap]) {
bond->pack_reverse_comm(recvnum[iswap][nrecv],firstrecv[iswap][nrecv],
buf_send);
bond->unpack_reverse_comm(sendnum[iswap][nsend],sendlist[iswap][nsend],
buf_send);
}
if (sendother[iswap]) {
for (i = 0; i < nsend; i++) {
MPI_Waitany(nsend,requests,&irecv,MPI_STATUS_IGNORE);
bond->unpack_reverse_comm(sendnum[iswap][irecv],sendlist[iswap][irecv],
&buf_recv[nsize*
reverse_recv_offset[iswap][irecv]]);
}
}
}
}
/* ----------------------------------------------------------------------
forward communication invoked by a Fix
size/nsize used only to set recv buffer limit