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programming style and format updates

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This commit is contained in:
Axel Kohlmeyer
2022-04-12 22:52:07 -04:00
parent 467cae9436
commit ef4e41d2a2
28 changed files with 580 additions and 787 deletions
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117
src/comm_brick.cpp
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@ -491,8 +491,7 @@ void CommBrick::setup()
return how many procs away are needed to encompass cutghost away from loc
------------------------------------------------------------------------- */
int CommBrick::updown(int dim, int dir, int loc,
double prd, int periodicity, double *split)
int CommBrick::updown(int dim, int dir, int loc, double prd, int periodicity, double *split)
{
int index,count;
double frac,delta;
@ -553,19 +552,15 @@ void CommBrick::forward_comm(int /*dummy*/)
if (comm_x_only) {
if (size_forward_recv[iswap]) {
buf = x[firstrecv[iswap]];
MPI_Irecv(buf,size_forward_recv[iswap],MPI_DOUBLE,
recvproc[iswap],0,world,&request);
MPI_Irecv(buf,size_forward_recv[iswap],MPI_DOUBLE,recvproc[iswap],0,world,&request);
}
n = avec->pack_comm(sendnum[iswap],sendlist[iswap],
buf_send,pbc_flag[iswap],pbc[iswap]);
n = avec->pack_comm(sendnum[iswap],sendlist[iswap],buf_send,pbc_flag[iswap],pbc[iswap]);
if (n) MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);
if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
} else if (ghost_velocity) {
if (size_forward_recv[iswap])
MPI_Irecv(buf_recv,size_forward_recv[iswap],MPI_DOUBLE,
recvproc[iswap],0,world,&request);
n = avec->pack_comm_vel(sendnum[iswap],sendlist[iswap],
buf_send,pbc_flag[iswap],pbc[iswap]);
MPI_Irecv(buf_recv,size_forward_recv[iswap],MPI_DOUBLE,recvproc[iswap],0,world,&request);
n = avec->pack_comm_vel(sendnum[iswap],sendlist[iswap],buf_send,pbc_flag[iswap],pbc[iswap]);
if (n) MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);
if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
avec->unpack_comm_vel(recvnum[iswap],firstrecv[iswap],buf_recv);
@ -573,8 +568,7 @@ void CommBrick::forward_comm(int /*dummy*/)
if (size_forward_recv[iswap])
MPI_Irecv(buf_recv,size_forward_recv[iswap],MPI_DOUBLE,
recvproc[iswap],0,world,&request);
n = avec->pack_comm(sendnum[iswap],sendlist[iswap],
buf_send,pbc_flag[iswap],pbc[iswap]);
n = avec->pack_comm(sendnum[iswap],sendlist[iswap],buf_send,pbc_flag[iswap],pbc[iswap]);
if (n) MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);
if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
avec->unpack_comm(recvnum[iswap],firstrecv[iswap],buf_recv);
@ -586,12 +580,10 @@ void CommBrick::forward_comm(int /*dummy*/)
avec->pack_comm(sendnum[iswap],sendlist[iswap],
x[firstrecv[iswap]],pbc_flag[iswap],pbc[iswap]);
} else if (ghost_velocity) {
avec->pack_comm_vel(sendnum[iswap],sendlist[iswap],
buf_send,pbc_flag[iswap],pbc[iswap]);
avec->pack_comm_vel(sendnum[iswap],sendlist[iswap],buf_send,pbc_flag[iswap],pbc[iswap]);
avec->unpack_comm_vel(recvnum[iswap],firstrecv[iswap],buf_send);
} else {
avec->pack_comm(sendnum[iswap],sendlist[iswap],
buf_send,pbc_flag[iswap],pbc[iswap]);
avec->pack_comm(sendnum[iswap],sendlist[iswap],buf_send,pbc_flag[iswap],pbc[iswap]);
avec->unpack_comm(recvnum[iswap],firstrecv[iswap],buf_send);
}
}
@ -619,18 +611,15 @@ void CommBrick::reverse_comm()
if (sendproc[iswap] != me) {
if (comm_f_only) {
if (size_reverse_recv[iswap])
MPI_Irecv(buf_recv,size_reverse_recv[iswap],MPI_DOUBLE,
sendproc[iswap],0,world,&request);
MPI_Irecv(buf_recv,size_reverse_recv[iswap],MPI_DOUBLE,sendproc[iswap],0,world,&request);
if (size_reverse_send[iswap]) {
buf = f[firstrecv[iswap]];
MPI_Send(buf,size_reverse_send[iswap],MPI_DOUBLE,
recvproc[iswap],0,world);
MPI_Send(buf,size_reverse_send[iswap],MPI_DOUBLE,recvproc[iswap],0,world);
}
if (size_reverse_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
} else {
if (size_reverse_recv[iswap])
MPI_Irecv(buf_recv,size_reverse_recv[iswap],MPI_DOUBLE,
sendproc[iswap],0,world,&request);
MPI_Irecv(buf_recv,size_reverse_recv[iswap],MPI_DOUBLE,sendproc[iswap],0,world,&request);
n = avec->pack_reverse(recvnum[iswap],firstrecv[iswap],buf_send);
if (n) MPI_Send(buf_send,n,MPI_DOUBLE,recvproc[iswap],0,world);
if (size_reverse_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -640,8 +629,7 @@ void CommBrick::reverse_comm()
} else {
if (comm_f_only) {
if (sendnum[iswap])
avec->unpack_reverse(sendnum[iswap],sendlist[iswap],
f[firstrecv[iswap]]);
avec->unpack_reverse(sendnum[iswap],sendlist[iswap],f[firstrecv[iswap]]);
} else {
avec->pack_reverse(recvnum[iswap],firstrecv[iswap],buf_send);
avec->unpack_reverse(sendnum[iswap],sendlist[iswap],buf_send);
@ -734,25 +722,21 @@ void CommBrick::exchange()
if (procgrid[dim] == 1) nrecv = 0;
else {
MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][0],0,
&nrecv1,1,MPI_INT,procneigh[dim][1],0,world,
MPI_STATUS_IGNORE);
&nrecv1,1,MPI_INT,procneigh[dim][1],0,world,MPI_STATUS_IGNORE);
nrecv = nrecv1;
if (procgrid[dim] > 2) {
MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][1],0,
&nrecv2,1,MPI_INT,procneigh[dim][0],0,world,
MPI_STATUS_IGNORE);
&nrecv2,1,MPI_INT,procneigh[dim][0],0,world,MPI_STATUS_IGNORE);
nrecv += nrecv2;
}
if (nrecv > maxrecv) grow_recv(nrecv);
MPI_Irecv(buf_recv,nrecv1,MPI_DOUBLE,procneigh[dim][1],0,
world,&request);
MPI_Irecv(buf_recv,nrecv1,MPI_DOUBLE,procneigh[dim][1],0,world,&request);
MPI_Send(buf_send,nsend,MPI_DOUBLE,procneigh[dim][0],0,world);
MPI_Wait(&request,MPI_STATUS_IGNORE);
if (procgrid[dim] > 2) {
MPI_Irecv(&buf_recv[nrecv1],nrecv2,MPI_DOUBLE,procneigh[dim][0],0,
world,&request);
MPI_Irecv(&buf_recv[nrecv1],nrecv2,MPI_DOUBLE,procneigh[dim][0],0,world,&request);
MPI_Send(buf_send,nsend,MPI_DOUBLE,procneigh[dim][1],0,world);
MPI_Wait(&request,MPI_STATUS_IGNORE);
}
@ -926,11 +910,9 @@ void CommBrick::borders()
if (nsend*size_border > maxsend) grow_send(nsend*size_border,0);
if (ghost_velocity)
n = avec->pack_border_vel(nsend,sendlist[iswap],buf_send,
pbc_flag[iswap],pbc[iswap]);
n = avec->pack_border_vel(nsend,sendlist[iswap],buf_send,pbc_flag[iswap],pbc[iswap]);
else
n = avec->pack_border(nsend,sendlist[iswap],buf_send,
pbc_flag[iswap],pbc[iswap]);
n = avec->pack_border(nsend,sendlist[iswap],buf_send,pbc_flag[iswap],pbc[iswap]);
// swap atoms with other proc
// no MPI calls except SendRecv if nsend/nrecv = 0
@ -939,8 +921,7 @@ void CommBrick::borders()
if (sendproc[iswap] != me) {
MPI_Sendrecv(&nsend,1,MPI_INT,sendproc[iswap],0,
&nrecv,1,MPI_INT,recvproc[iswap],0,world,
MPI_STATUS_IGNORE);
&nrecv,1,MPI_INT,recvproc[iswap],0,world,MPI_STATUS_IGNORE);
if (nrecv*size_border > maxrecv) grow_recv(nrecv*size_border);
if (nrecv) MPI_Irecv(buf_recv,nrecv*size_border,MPI_DOUBLE,
recvproc[iswap],0,world,&request);
@ -1014,16 +995,14 @@ void CommBrick::forward_comm(Pair *pair)
// pack buffer
n = pair->pack_forward_comm(sendnum[iswap],sendlist[iswap],
buf_send,pbc_flag[iswap],pbc[iswap]);
n = pair->pack_forward_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) {
if (recvnum[iswap])
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,
recvproc[iswap],0,world,&request);
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,world,&request);
if (sendnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);
if (recvnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1060,8 +1039,7 @@ void CommBrick::reverse_comm(Pair *pair)
if (sendproc[iswap] != me) {
if (sendnum[iswap])
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,world,&request);
if (recvnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,recvproc[iswap],0,world);
if (sendnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1091,16 +1069,14 @@ void CommBrick::forward_comm(Bond *bond)
// pack buffer
n = bond->pack_forward_comm(sendnum[iswap],sendlist[iswap],
buf_send,pbc_flag[iswap],pbc[iswap]);
n = bond->pack_forward_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) {
if (recvnum[iswap])
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,
recvproc[iswap],0,world,&request);
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,world,&request);
if (sendnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);
if (recvnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1137,8 +1113,7 @@ void CommBrick::reverse_comm(Bond *bond)
if (sendproc[iswap] != me) {
if (sendnum[iswap])
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,world,&request);
if (recvnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,recvproc[iswap],0,world);
if (sendnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1173,16 +1148,14 @@ void CommBrick::forward_comm(Fix *fix, int size)
// pack buffer
n = fix->pack_forward_comm(sendnum[iswap],sendlist[iswap],
buf_send,pbc_flag[iswap],pbc[iswap]);
n = fix->pack_forward_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) {
if (recvnum[iswap])
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,world,&request);
if (sendnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);
if (recvnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1224,8 +1197,7 @@ void CommBrick::reverse_comm(Fix *fix, int size)
if (sendproc[iswap] != me) {
if (sendnum[iswap])
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,world,&request);
if (recvnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,recvproc[iswap],0,world);
if (sendnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1263,13 +1235,11 @@ void CommBrick::reverse_comm_variable(Fix *fix)
if (sendproc[iswap] != me) {
MPI_Sendrecv(&nsend,1,MPI_INT,recvproc[iswap],0,
&nrecv,1,MPI_INT,sendproc[iswap],0,world,
MPI_STATUS_IGNORE);
&nrecv,1,MPI_INT,sendproc[iswap],0,world,MPI_STATUS_IGNORE);
if (sendnum[iswap]) {
if (nrecv > maxrecv) grow_recv(nrecv);
MPI_Irecv(buf_recv,maxrecv,MPI_DOUBLE,sendproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,maxrecv,MPI_DOUBLE,sendproc[iswap],0,world,&request);
}
if (recvnum[iswap])
MPI_Send(buf_send,nsend,MPI_DOUBLE,recvproc[iswap],0,world);
@ -1308,8 +1278,7 @@ void CommBrick::forward_comm(Compute *compute)
if (sendproc[iswap] != me) {
if (recvnum[iswap])
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,world,&request);
if (sendnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);
if (recvnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1346,8 +1315,7 @@ void CommBrick::reverse_comm(Compute *compute)
if (sendproc[iswap] != me) {
if (sendnum[iswap])
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,world,&request);
if (recvnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,recvproc[iswap],0,world);
if (sendnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1385,8 +1353,7 @@ void CommBrick::forward_comm(Dump *dump)
if (sendproc[iswap] != me) {
if (recvnum[iswap])
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,world,&request);
if (sendnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);
if (recvnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1423,8 +1390,7 @@ void CommBrick::reverse_comm(Dump *dump)
if (sendproc[iswap] != me) {
if (sendnum[iswap])
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,world,&request);
if (recvnum[iswap])
MPI_Send(buf_send,n,MPI_DOUBLE,recvproc[iswap],0,world);
if (sendnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
@ -1472,11 +1438,9 @@ void CommBrick::forward_comm_array(int nsize, double **array)
if (sendproc[iswap] != me) {
if (recvnum[iswap])
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,
world,&request);
MPI_Irecv(buf_recv,nsize*recvnum[iswap],MPI_DOUBLE,recvproc[iswap],0,world,&request);
if (sendnum[iswap])
MPI_Send(buf_send,nsize*sendnum[iswap],MPI_DOUBLE,
sendproc[iswap],0,world);
MPI_Send(buf_send,nsize*sendnum[iswap],MPI_DOUBLE,sendproc[iswap],0,world);
if (recvnum[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);
buf = buf_recv;
} else buf = buf_send;
@ -1522,21 +1486,18 @@ int CommBrick::exchange_variable(int n, double *inbuf, double *&outbuf)
nrecv += nrecv1;
if (procgrid[dim] > 2) {
MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][1],0,
&nrecv2,1,MPI_INT,procneigh[dim][0],0,world,
MPI_STATUS_IGNORE);
&nrecv2,1,MPI_INT,procneigh[dim][0],0,world,MPI_STATUS_IGNORE);
nrecv += nrecv2;
} else nrecv2 = 0;
if (nrecv > maxrecv) grow_recv(nrecv);
MPI_Irecv(&buf_recv[nsend],nrecv1,MPI_DOUBLE,procneigh[dim][1],0,
world,&request);
MPI_Irecv(&buf_recv[nsend],nrecv1,MPI_DOUBLE,procneigh[dim][1],0,world,&request);
MPI_Send(buf_recv,nsend,MPI_DOUBLE,procneigh[dim][0],0,world);
MPI_Wait(&request,MPI_STATUS_IGNORE);
if (procgrid[dim] > 2) {
MPI_Irecv(&buf_recv[nsend+nrecv1],nrecv2,MPI_DOUBLE,procneigh[dim][0],0,
world,&request);
MPI_Irecv(&buf_recv[nsend+nrecv1],nrecv2,MPI_DOUBLE,procneigh[dim][0],0,world,&request);
MPI_Send(buf_recv,nsend,MPI_DOUBLE,procneigh[dim][1],0,world);
MPI_Wait(&request,MPI_STATUS_IGNORE);
}