Merge pull request #1388 from lammps/tiled-bug (93f53144) · Commits · 郑智淋 / lammps

src/balance.cpp

+8 −8

Original line number	Diff line number	Diff line
		@@ -1255,14 +1255,14 @@ void Balance::dumpout(bigint tstep)
		int m = 0;
		for (int i = 0; i < nprocs; i++) {
		domain->lamda_box_corners(&boxall[i][0],&boxall[i][3]);
		fprintf(fp,"%d %d %g %g %g\n",m+1,1,bc[0][0],bc[0][1],bc[0][1]);
		fprintf(fp,"%d %d %g %g %g\n",m+2,1,bc[1][0],bc[1][1],bc[1][1]);
		fprintf(fp,"%d %d %g %g %g\n",m+3,1,bc[2][0],bc[2][1],bc[2][1]);
		fprintf(fp,"%d %d %g %g %g\n",m+4,1,bc[3][0],bc[3][1],bc[3][1]);
		fprintf(fp,"%d %d %g %g %g\n",m+5,1,bc[4][0],bc[4][1],bc[4][1]);
		fprintf(fp,"%d %d %g %g %g\n",m+6,1,bc[5][0],bc[5][1],bc[5][1]);
		fprintf(fp,"%d %d %g %g %g\n",m+7,1,bc[6][0],bc[6][1],bc[6][1]);
		fprintf(fp,"%d %d %g %g %g\n",m+8,1,bc[7][0],bc[7][1],bc[7][1]);
		fprintf(fp,"%d %d %g %g %g\n",m+1,1,bc[0][0],bc[0][1],bc[0][2]);
		fprintf(fp,"%d %d %g %g %g\n",m+2,1,bc[1][0],bc[1][1],bc[1][2]);
		fprintf(fp,"%d %d %g %g %g\n",m+3,1,bc[2][0],bc[2][1],bc[2][2]);
		fprintf(fp,"%d %d %g %g %g\n",m+4,1,bc[3][0],bc[3][1],bc[3][2]);
		fprintf(fp,"%d %d %g %g %g\n",m+5,1,bc[4][0],bc[4][1],bc[4][2]);
		fprintf(fp,"%d %d %g %g %g\n",m+6,1,bc[5][0],bc[5][1],bc[5][2]);
		fprintf(fp,"%d %d %g %g %g\n",m+7,1,bc[6][0],bc[6][1],bc[6][2]);
		fprintf(fp,"%d %d %g %g %g\n",m+8,1,bc[7][0],bc[7][1],bc[7][2]);
		m += 8;
		}
		}

+1 −1

Original line number	Diff line number	Diff line
		@@ -512,7 +512,7 @@ void CommTiled::forward_comm(int /dummy/)
		MPI_DOUBLE,recvproc[iswap][i],0,world,&requests[i]);
		}
		if (sendother[iswap]) {
		for (i = 0; i < nsendproc[iswap]; i++) {
		for (i = 0; i < nsend; i++) {
		n = avec->pack_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);

+5 −4

Original line number	Diff line number	Diff line
		@@ -274,10 +274,6 @@ void FixBalance::rebalance()
		comm->layout = Comm::LAYOUT_TILED;
		}

		// output of new decomposition

		if (balance->outflag) balance->dumpout(update->ntimestep);

		// reset proc sub-domains
		// check and warn if any proc's subbox is smaller than neigh skin
		// since may lead to lost atoms in comm->exchange()
		@@ -286,12 +282,17 @@ void FixBalance::rebalance()
		domain->set_local_box();
		domain->subbox_too_small_check(neighbor->skin);

		// output of new decomposition

		if (balance->outflag) balance->dumpout(update->ntimestep);

		// move atoms to new processors via irregular()
		// for non-RCB only needed if migrate_check() says an atom moves too far
		// else allow caller's comm->exchange() to do it
		// set disable = 0, so weights migrate with atoms
		// important to delay disable = 1 until after pre_neighbor imbfinal calc
		// b/c atoms may migrate again in comm->exchange()
		// NOTE: for reproducible debug runs, set 1st arg of migrate_atoms() to 1

		if (domain->triclinic) domain->x2lamda(atom->nlocal);
		if (wtflag) balance->fixstore->disable = 0;

+6 −6

File changed.

Contains only whitespace changes.