clean whitespace
This commit is contained in:
Steve Plimpton
@ -658,7 +658,7 @@ void CommBrick::exchange()
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double *sublo,*subhi;
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MPI_Request request;
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AtomVec *avec = atom->avec;
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// clear global->local map for owned and ghost atoms
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// b/c atoms migrate to new procs in exchange() and
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// new ghosts are created in borders()
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@ -147,11 +147,11 @@ void CommBrickDirect::init()
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// allocate lists of atoms to send for first time if necessary
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// do now b/c domain->dimension may have changed since construction of this class
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// if comm_style command specified before dimension command
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int oldlist = maxlist;
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if (domain->dimension == 2) maxlist = 9;
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else maxlist = 27;
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if (maxlist > oldlist) {
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deallocate_lists(oldlist);
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allocate_lists();
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@ -173,7 +173,7 @@ void CommBrickDirect::setup()
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CommBrick::setup();
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// pointers for orthogonal or triclinic domains
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int dim = domain->dimension;
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double *prd,*sublo,*subhi;
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@ -186,11 +186,11 @@ void CommBrickDirect::setup()
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sublo = domain->sublo_lamda;
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subhi = domain->subhi_lamda;
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}
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// ijk lo/hi = bounds of stencil around my proc at center
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// ndirect = # of direct swaps with other procs, including self copies
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// subtract 1 for myself in center of 3d grid of surrounding procs
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int ilo = -recvneed[0][0];
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int ihi = recvneed[0][1];
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int jlo = -recvneed[1][0];
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@ -210,7 +210,7 @@ void CommBrickDirect::setup()
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printf("NDIRECT %d ijk lo/hi %d %d: %d %d: %d %d proc %d\n",
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ndirect,ilo,ihi,jlo,jhi,klo,khi,me);
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if (ndirect > maxdirect) {
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deallocate_direct();
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maxdirect = ndirect;
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@ -249,7 +249,7 @@ void CommBrickDirect::setup()
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nbetween = khi - 1;
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cutzhi = cutghost[2] - nbetween*zwidth;
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}
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} else if (layout == Comm::LAYOUT_NONUNIFORM) {
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// NOTE: still needs to be coded
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}
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@ -260,7 +260,7 @@ void CommBrickDirect::setup()
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// require a cutoff due to stencil being truncated by a non-PBC boundary
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int ix,iy,iz;
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for (int ilist = 0; ilist < maxlist; ilist++) {
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ix = ilist % 3;
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iy = (ilist/3) % 3;
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@ -312,15 +312,15 @@ void CommBrickDirect::setup()
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if (bounds_list[ilist][2][0] <= sublo[2]) check_list[ilist][2] = 0;
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}
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}
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// active_list = which lists of atoms are used by swaps
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// zero it before looping over swaps to set it
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for (int ilist = 0; ilist < maxlist; ilist++)
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active_list[ilist] = 0;
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// loop over stencil and define params for each direct swap
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int xpbc,ypbc,zpbc;
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int igrid,jgrid,kgrid;
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int ilistx,ilisty,ilistz,ilist;
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@ -329,11 +329,11 @@ void CommBrickDirect::setup()
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ix = swaporder[iswap][0];
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iy = swaporder[iswap][1];
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iz = swaporder[iswap][2];
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// identify proc to swap with and atom coord PBC shifts required
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xpbc = ypbc = zpbc = 0;
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igrid = myloc[0] + ix;
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while (igrid < 0) {
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igrid += procgrid[0];
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@ -343,7 +343,7 @@ void CommBrickDirect::setup()
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igrid -= procgrid[0];
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xpbc--;
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}
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jgrid = myloc[1] + iy;
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while (jgrid < 0) {
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jgrid += procgrid[1];
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@ -369,7 +369,7 @@ void CommBrickDirect::setup()
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pbc_flag_direct[iswap] = 0;
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pbc_direct[iswap][0] = pbc_direct[iswap][1] = pbc_direct[iswap][2] =
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pbc_direct[iswap][3] = pbc_direct[iswap][4] = pbc_direct[iswap][5] = 0;
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if (xpbc || ypbc || zpbc) {
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pbc_flag_direct[iswap] = 1;
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pbc_direct[iswap][0] = xpbc;
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@ -385,7 +385,7 @@ void CommBrickDirect::setup()
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// set swap2list and increment active_list for that list
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// put check for ixyz = 0 before lo or hi so that if lo or hi = 0
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// then there will be no additional atom lists created for lo or hi
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if (ix == 0) ilistx = 1;
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else if (ix == ilo) ilistx = 0;
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else if (ix == ihi) ilistx = 2;
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@ -395,7 +395,7 @@ void CommBrickDirect::setup()
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else if (iy == jlo) ilisty = 0;
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else if (iy == jhi) ilisty = 2;
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else ilisty = 1;
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if (iz == 0) ilistz = 1;
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else if (iz == klo) ilistz = 0;
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else if (iz == khi) ilistz = 2;
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@ -406,12 +406,12 @@ void CommBrickDirect::setup()
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swap2list[iswap] = ilist;
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active_list[ilist]++;
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// set MPI tags based on 3d offset between 2 procs from receiver's perspective
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// this ensures MPI Send and Recv for each swap will use same tag
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// necessary if multiple swaps are performed between same 2 procs
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// so that receiver can identify which swap the received data is for
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sendtag[iswap] = STENCIL_FULL*STENCIL_FULL*(-iz+STENCIL_HALF) +
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STENCIL_FULL*(-iy+STENCIL_HALF) + (-ix+STENCIL_HALF);
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recvtag[iswap] = STENCIL_FULL*STENCIL_FULL*(iz+STENCIL_HALF) +
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@ -444,7 +444,7 @@ void CommBrickDirect::order_swaps(int ilo, int ihi, int jlo, int jhi, int klo, i
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int jmax = MAX(-jlo,jhi);
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int kmax = MAX(-klo,khi);
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int maxdistance = imax + jmax + kmax;
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int ix,iy,iz;
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int sdist;
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int idirect = 0;
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@ -484,7 +484,7 @@ void CommBrickDirect::forward_comm(int /*dummy*/)
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// except for self copies
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int offset;
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int npost = 0;
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for (iswap = 0; iswap < ndirect; iswap++) {
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if (proc_direct[iswap] == me) continue;
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@ -502,7 +502,7 @@ void CommBrickDirect::forward_comm(int /*dummy*/)
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}
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}
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}
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// send all owned atoms to receiving procs
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// except for self copies
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@ -542,7 +542,7 @@ void CommBrickDirect::forward_comm(int /*dummy*/)
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// unpack each message as it arrives
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if (npost == 0) return;
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if (comm_x_only) {
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MPI_Waitall(npost,requests,MPI_STATUS_IGNORE);
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} else if (ghost_velocity) {
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@ -561,7 +561,7 @@ void CommBrickDirect::forward_comm(int /*dummy*/)
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}
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}
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}
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/* ----------------------------------------------------------------------
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reverse communication of forces on atoms every timestep
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other per-atom attributes may also be sent via pack/unpack routines
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@ -627,7 +627,7 @@ void CommBrickDirect::reverse_comm()
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// unpack each message as it arrives
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if (npost == 0) return;
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for (int i; i < npost; i++) {
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MPI_Waitany(npost,requests,&irecv,MPI_STATUS_IGNORE);
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iswap = send_indices_direct[irecv];
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@ -654,11 +654,11 @@ void CommBrickDirect::reverse_comm()
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void CommBrickDirect::borders()
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{
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int i,n,iswap,ilist,nsend,nrecv;
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// setup lists of atoms to send in each direct swap
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// only maxlist possible lists (27 in 3d, 9 in 2d) regardless of stencil size
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// skip non-active lists as flagged in setup()
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AtomVec *avec = atom->avec;
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double **x = atom->x;
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int nlocal = atom->nlocal;
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@ -667,10 +667,10 @@ void CommBrickDirect::borders()
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int allflag;
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int xcheck,ycheck,zcheck;
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double xlo,xhi,ylo,yhi,zlo,zhi;
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for (ilist = 0; ilist < maxlist; ilist++) {
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if (!active_list[ilist]) continue;
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xcheck = check_list[ilist][0];
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ycheck = check_list[ilist][1];
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zcheck = check_list[ilist][2];
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@ -715,7 +715,7 @@ void CommBrickDirect::borders()
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sendnum_direct[iswap] = sendnum_list[ilist];
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sendlist_direct[iswap] = sendatoms_list[ilist];
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}
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// recvnum_direct = number of ghost atoms recieved in each swap
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// acquire by sending value of nsend for each swap to each receiving proc
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// post receives, perform sends, copy to self, wait for all incoming messages
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@ -736,7 +736,7 @@ void CommBrickDirect::borders()
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iswap = self_indices_direct[iself];
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recvnum_direct[iswap] = sendnum_direct[iswap];
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}
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MPI_Waitall(npost,requests,MPI_STATUS_IGNORE);
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// set nghost = sum of recnum_direct over swaps
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@ -754,13 +754,13 @@ void CommBrickDirect::borders()
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int rmax = 0;
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int ssum = 0;
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int rsum = 0;
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for (iswap = 0; iswap < ndirect; iswap++) {
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nsend = sendnum_direct[iswap];
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nrecv = recvnum_direct[iswap];
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firstrecv_direct[iswap] = nlocal + nghost;
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nghost += nrecv;
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size_forward_recv_direct[iswap] = size_forward * nrecv;
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size_reverse_send_direct[iswap] = size_reverse * nrecv;
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size_reverse_recv_direct[iswap] = size_reverse * nsend;
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@ -777,7 +777,7 @@ void CommBrickDirect::borders()
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if (nsend) send_indices_direct[isend++] = iswap;
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if (nrecv) recv_indices_direct[irecv++] = iswap;
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}
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smax = MAX(smax,nsend);
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rmax = MAX(rmax,nrecv);
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ssum += nsend;
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@ -785,11 +785,11 @@ void CommBrickDirect::borders()
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}
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atom->nghost = nghost;
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// ensure send/recv buffers are large enough for all border & forward & reverse comm
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// size of send buf is for a single swap
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// size of recv buf is for all swaps
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int max = size_border * smax;
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max = MAX(max,maxforward*smax);
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max = MAX(max,maxreverse*rmax);
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@ -799,13 +799,13 @@ void CommBrickDirect::borders()
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max = MAX(max,maxforward*rsum);
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max = MAX(max,maxreverse*ssum);
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if (max > maxrecv_direct) grow_recv_direct(max);
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// perform border comm via direct swaps
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// use pack/unpack border and pack/unpack border_vel
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// post receives, perform sends, copy to self, wait for all incoming messages
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int offset;
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npost = 0;
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for (iswap = 0; iswap < ndirect; iswap++) {
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if (proc_direct[iswap] == me) continue;
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@ -815,7 +815,7 @@ void CommBrickDirect::borders()
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proc_direct[iswap],recvtag[iswap],world,&requests[npost++]);
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}
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}
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for (iswap = 0; iswap < ndirect; iswap++) {
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if (proc_direct[iswap] == me) continue;
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if (ghost_velocity) {
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@ -33,13 +33,13 @@ class CommBrickDirect : public CommBrick {
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protected:
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// per-swap data
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// swap = exchange of data between me and another proc in stencil, including self
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int ndirect; // # of direct swaps with nearby procs, including self
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int maxdirect; // max size which all swap-length data is allocated for
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int nself_direct; // # of swaps with self, non-empty or empty
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int **swaporder; // ordering (ijk indices) of swaps within 3d stencil
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int *send_indices_direct; // indices of non-empty swap sends to other procs
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int *recv_indices_direct; // indices of non-empty swap recvs from other procs
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int *self_indices_direct; // indices of non-empty swaps with self
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@ -48,10 +48,10 @@ class CommBrickDirect : public CommBrick {
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int *pbc_flag_direct; // overall flag for sending atoms thru PBC
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int **pbc_direct; // 6 dimension flags for PBC adjusts, including triclinc
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int *sendtag, *recvtag; // MPI tags for send/recv in each swap
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int *sendnum_direct; // # of atoms to send in each swap
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int *recvnum_direct; // # of atoms to recv in each swap
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int *size_forward_recv_direct; // max # of values to recv in each forward comm
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int *size_reverse_send_direct; // max # of values to send in each reverse comm
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int *size_reverse_recv_direct; // max # of values to recv in each reverse comm
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@ -83,17 +83,17 @@ class CommBrickDirect : public CommBrick {
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double cutzlo, cutzhi;
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// communication buffers for MPI sends and receives as well as self data copies
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double *buf_send_direct; // send buffer used for every swap (large enough for any)
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double *buf_recv_direct; // recv buffer used for all swaps (large enough for all)
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int maxsend_direct; // size of buf_send_direct
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int maxrecv_direct; // size of buf_recv_direct
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MPI_Request *requests; // list of requests, length = ndirect
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// private methods
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void init_buffers_direct();
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void order_swaps(int, int, int, int, int, int);
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void allocate_direct();
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