static void move_construct_f(t_comm_dummies *dummycomm, rvec f[], t_commrec *cr)
{
int i;
/* Spread forces to nonlocal constructing atoms.
*/
/* package forces to send right */
for(i=0; i<dummycomm->nnextconstr; i++)
copy_rvec(f[dummycomm->idxnextconstr[i]],nextbuf[i]);
/* send them off, and recieve from the right */
if(dummycomm->nnextconstr>0)
gmx_tx(cr->right,nextbuf,sizeof(rvec)*dummycomm->nnextconstr);
if(dummycomm->nprevconstr>0)
gmx_rx(cr->left,prevbuf,sizeof(rvec)*dummycomm->nprevconstr);
if(dummycomm->nnextconstr>0)
gmx_tx_wait(cr->right);
if(dummycomm->nprevconstr>0)
gmx_rx_wait(cr->left);
/* Add them where they belong */
for(i=0; i<dummycomm->nprevconstr; i++)
rvec_inc(f[dummycomm->idxprevconstr[i]],prevbuf[i]);
/* Zero nonlocal dummies */
for(i=0; i<dummycomm->nprevdum; i++)
clear_rvec(f[dummycomm->idxprevdum[i]]);
/* All forces are on the home processor now */
}
static void move_dummy_f(t_comm_dummies *dummycomm, rvec f[], t_commrec *cr)
{
int i;
/* package dummy particle forces to send left */
for(i=0; i<dummycomm->nprevdum; i++)
copy_rvec(f[dummycomm->idxprevdum[i]],prevbuf[i]);
/* off they go! - but only if there is something to send! */
if(dummycomm->nprevdum>0)
gmx_tx(cr->left,prevbuf,sizeof(rvec)*dummycomm->nprevdum);
/* Get our share from the right, if there is anything to have */
if(dummycomm->nnextdum>0)
gmx_rx(cr->right,nextbuf,sizeof(rvec)*dummycomm->nnextdum);
if(dummycomm->nprevdum>0)
gmx_tx_wait(cr->left);
if(dummycomm->nnextdum>0)
gmx_rx_wait(cr->right);
/* Put them where they belong */
for(i=0; i<dummycomm->nnextdum; i++)
copy_rvec(nextbuf[i],f[dummycomm->idxnextdum[i]]);
/* Zero forces on nonlocal constructing atoms.
* This is necessary since dummy force spreading is done
* after the normal force addition, and we don't want
* to include them twice.
* (They have already been added on the home node).
*/
for(i=0; i<dummycomm->nnextconstr; i++)
clear_rvec(f[dummycomm->idxnextconstr[i]]);
}
void mv_grid(t_commrec *cr, t_grid *grid)
{
int i, start, nr;
int cur = cr->nodeid;
int *ci, *cgindex;
#define next ((cur+1) % (cr->nnodes-cr->npmenodes))
ci = grid->cell_index;
cgindex = pd_cgindex(cr);
for (i = 0; (i < cr->nnodes-1); i++)
{
start = cgindex[cur];
nr = cgindex[cur+1] - start;
gmx_tx(cr, GMX_LEFT, &(ci[start]), nr*sizeof(*ci));
start = cgindex[next];
nr = cgindex[next+1] - start;
gmx_rx(cr, GMX_RIGHT, &(ci[start]), nr*sizeof(*ci));
gmx_tx_wait(cr);
gmx_rx_wait(cr);
cur = next;
}
}
static void move_dummy_xv(t_comm_dummies *dummycomm, rvec x[], rvec v[],t_commrec *cr)
{
int i;
int sendsize,recvsize;
sendsize=sizeof(rvec)*dummycomm->nnextdum;
recvsize=sizeof(rvec)*dummycomm->nprevdum;
if(v!=NULL) {
sendsize=sendsize*2;
recvsize=recvsize*2;
}
/* Package nonlocal constructed dummies */
for(i=0; i<dummycomm->nnextdum; i++)
copy_rvec(x[dummycomm->idxnextdum[i]],nextbuf[i]);
if(v!=NULL)
for(i=0; i<dummycomm->nnextdum; i++)
copy_rvec(v[dummycomm->idxnextdum[i]],nextbuf[dummycomm->nnextdum+i]);
/* send them off, and recieve from the right */
if(dummycomm->nnextdum>0)
gmx_tx(cr->right,nextbuf,sendsize);
if(dummycomm->nprevdum>0)
gmx_rx(cr->left,prevbuf,recvsize);
if(dummycomm->nnextdum>0)
gmx_tx_wait(cr->right);
if(dummycomm->nprevdum>0)
gmx_rx_wait(cr->left);
/* Put them where they belong */
for(i=0; i<dummycomm->nprevdum; i++)
copy_rvec(prevbuf[i],x[dummycomm->idxprevdum[i]]);
if(v!=NULL)
for(i=0; i<dummycomm->nprevdum; i++)
copy_rvec(prevbuf[dummycomm->nprevdum+i],v[dummycomm->idxprevdum[i]]);
/* All coordinates are in place on the respective home node now */
}
static void move_construct_x(t_comm_dummies *dummycomm, rvec x[], t_commrec *cr)
{
static bool bFirst=TRUE;
int i;
if (bFirst) {
/* Make the larger than necessary to avoid cache sharing */
snew(nextbuf,2*(dummycomm->nnextdum+dummycomm->nnextconstr)+100);
snew(prevbuf,2*(dummycomm->nprevdum+dummycomm->nprevconstr)+100);
bFirst=FALSE;
}
/* package coords to send left. Dummy coords are needed to create v */
for(i=0; i<dummycomm->nprevconstr; i++)
copy_rvec(x[dummycomm->idxprevconstr[i]],prevbuf[i]);
for(i=0; i<dummycomm->nprevdum; i++)
copy_rvec(x[dummycomm->idxprevdum[i]],prevbuf[dummycomm->nprevconstr+i]);
/* send them off, and recieve from the right */
if(dummycomm->nprevconstr>0 || dummycomm->nprevdum>0)
gmx_tx(cr->left,prevbuf,
sizeof(rvec)*(dummycomm->nprevconstr+dummycomm->nprevdum));
if(dummycomm->nnextconstr>0 || dummycomm->nnextdum>0)
gmx_rx(cr->right,nextbuf,
sizeof(rvec)*(dummycomm->nnextconstr+dummycomm->nnextdum));
if(dummycomm->nprevconstr>0 || dummycomm->nprevdum>0)
gmx_tx_wait(cr->left);
if(dummycomm->nnextconstr>0 || dummycomm->nnextdum>0)
gmx_rx_wait(cr->right);
/* Put them where they belong */
for(i=0; i<dummycomm->nnextconstr; i++)
copy_rvec(nextbuf[i],x[dummycomm->idxnextconstr[i]]);
for(i=0; i<dummycomm->nnextdum; i++)
copy_rvec(nextbuf[dummycomm->nnextconstr+i],
x[dummycomm->idxnextdum[i]]);
/* Now we are ready to do the constructing business ! */
}