Commit c2ee3285 authored by Tim Mattox's avatar Tim Mattox
Browse files

USER-DPD: change nstencil_ssa[] to eliminate a corner case 

Saves a conditional inside an NPairHalfBinNewtonSSA::build() inner loop
parent 5289ec0b

src/USER-DPD/npair_half_bin_newton_ssa.cpp

+1 −2
Original line number Diff line number Diff line
@@ -207,8 +207,7 @@ void NPairHalfBinNewtonSSA::build(NeighList *list) 
        }



        // loop over all local atoms in other bins in "subphase" of stencil

        k = (subphase > 0) ? nstencil_ssa[subphase - 1] : 0;

        for (; k < nstencil_ssa[subphase]; k++) {

        for (k = nstencil_ssa[subphase]; k < nstencil_ssa[subphase+1]; k++) {

          for (j = binhead[ibin+stencil[k]]; j >= 0; j = bins[j]) {

            jtype = type[j];

            if (exclude && exclusion(i,j,itype,jtype,mask,molecule)) continue;

src/USER-DPD/nstencil_half_bin_2d_newton_ssa.cpp

+9 −8
Original line number Diff line number Diff line
@@ -42,6 +42,7 @@ NStencilHalfBin2dNewtonSSA::NStencilHalfBin2dNewtonSSA(LAMMPS *lmp) : 
void NStencilHalfBin2dNewtonSSA::create()

{

  int i,j,pos = 0;

  nstencil_ssa[0] = 0; // redundant info, but saves a conditional

  // Subphase 0: upper right front bins (red)

  for (j = 0; j <= sy; j++)

    for (i = 0; i <= sx; i++)
@@ -52,8 +53,8 @@ void NStencilHalfBin2dNewtonSSA::create() 
          stencilxyz[pos][2] = 0;

          stencil[pos++] = j*mbinx + i;

        }

  nstencil_ssa[0] = pos;



  nstencil_ssa[1] = pos;

  // Subphase 1: upper left front bins (light blue)

  for (j = 1; j <= sy; j++)

    for (i = -sx; i < 0; i++)
@@ -63,21 +64,21 @@ void NStencilHalfBin2dNewtonSSA::create() 
        stencilxyz[pos][2] = 0;

        stencil[pos++] = j*mbinx + i;

      }

  nstencil_ssa[1] = pos;



  // Subphase 2: lower right front bins (yellow)

  nstencil_ssa[2] = pos;

  // Subphase 2: lower right front bins (yellow)



  // Subphase 3: lower left front bins (blue)

  nstencil_ssa[3] = pos;

  // Subphase 3: lower left front bins (blue)



  nstencil_ssa[4] = pos; // record end of half stencil

  // Now include additional bins for AIR ghosts, and impure-to-pure locals

  // Subphase 4: upper right back bins (pink)

  nstencil_ssa[4] = pos;



  // nstencil_ssa[5] = pos;

  // Subphase 5: upper left back bins (light green)

  nstencil_ssa[5] = pos;



  // nstencil_ssa[6] = pos;

  // Subphase 6: lower right back bins (white)

  for (j = -sy; j < 0; j++)

    for (i = 0; i <= sx; i++)
@@ -87,8 +88,8 @@ void NStencilHalfBin2dNewtonSSA::create() 
        stencilxyz[pos][2] = 0;

        stencil[pos++] = j*mbinx + i;

      }

  nstencil_ssa[6] = pos;



  // nstencil_ssa[7] = pos;

  // Subphase 7: lower left back bins (purple)

  for (j = -sy; j <= 0; j++)

    for (i = -sx; i < 0; i++)
@@ -98,7 +99,7 @@ void NStencilHalfBin2dNewtonSSA::create() 
        stencilxyz[pos][2] = 0;

        stencil[pos++] = j*mbinx + i;

      }

  nstencil_ssa[7] = pos;

  // nstencil_ssa[8] = pos;



  // Also, include the centroid for the AIR ghosts.

  stencilxyz[pos][0] = 0;

src/USER-DPD/nstencil_half_bin_3d_newton_ssa.cpp

+9 −8
Original line number Diff line number Diff line
@@ -42,6 +42,7 @@ NStencilHalfBin3dNewtonSSA::NStencilHalfBin3dNewtonSSA(LAMMPS *lmp) : 
void NStencilHalfBin3dNewtonSSA::create()

{

  int i,j,k,pos = 0;

  nstencil_ssa[0] = 0; // redundant info, but saves a conditional

  // Subphase 0: upper right front bins (red)

  for (k = 0; k <= sz; k++)

    for (j = 0; j <= sy; j++)
@@ -53,8 +54,8 @@ void NStencilHalfBin3dNewtonSSA::create() 
            stencilxyz[pos][2] = k;

            stencil[pos++] = k*mbiny*mbinx + j*mbinx + i;

          }

  nstencil_ssa[0] = pos;



  nstencil_ssa[1] = pos;

  // Subphase 1: upper left front bins (light blue)

  for (k = 0; k <= sz; k++)

    for (j = 1; j <= sy; j++)
@@ -65,8 +66,8 @@ void NStencilHalfBin3dNewtonSSA::create() 
          stencilxyz[pos][2] = k;

          stencil[pos++] = k*mbiny*mbinx + j*mbinx + i;

        }

  nstencil_ssa[1] = pos;



  nstencil_ssa[2] = pos;

  // Subphase 2: lower right front bins (yellow)

  for (k = 1; k <= sz; k++)

    for (j = -sy; j < 0; j++)
@@ -77,8 +78,8 @@ void NStencilHalfBin3dNewtonSSA::create() 
          stencilxyz[pos][2] = k;

          stencil[pos++] = k*mbiny*mbinx + j*mbinx + i;

        }

  nstencil_ssa[2] = pos;



  nstencil_ssa[3] = pos;

  // Subphase 3: lower left front bins (blue)

  for (k = 1; k <= sz; k++)

    for (j = -sy; j <= 0; j++)
@@ -89,8 +90,8 @@ void NStencilHalfBin3dNewtonSSA::create() 
          stencilxyz[pos][2] = k;

          stencil[pos++] = k*mbiny*mbinx + j*mbinx + i;

        }

  nstencil_ssa[3] = pos;



  nstencil_ssa[4] = pos; // record end of half stencil

  // Now include additional bins for AIR ghosts, and impure-to-pure locals

  // Subphase 4: upper right back bins (pink)

  for (k = -sz; k < 0; k++)
@@ -102,8 +103,8 @@ void NStencilHalfBin3dNewtonSSA::create() 
          stencilxyz[pos][2] = k;

          stencil[pos++] = k*mbiny*mbinx + j*mbinx + i;

        }

  nstencil_ssa[4] = pos;



  // nstencil_ssa[5] = pos;

  // Subphase 5: upper left back bins (light green)

  for (k = -sz; k < 0; k++)

    for (j = 1; j <= sy; j++)
@@ -114,8 +115,8 @@ void NStencilHalfBin3dNewtonSSA::create() 
          stencilxyz[pos][2] = k;

          stencil[pos++] = k*mbiny*mbinx + j*mbinx + i;

        }

  nstencil_ssa[5] = pos;



  // nstencil_ssa[6] = pos;

  // Subphase 6: lower right back bins (white)

  for (k = -sz; k <= 0; k++)

    for (j = -sy; j < 0; j++)
@@ -126,8 +127,8 @@ void NStencilHalfBin3dNewtonSSA::create() 
          stencilxyz[pos][2] = k;

          stencil[pos++] = k*mbiny*mbinx + j*mbinx + i;

        }

  nstencil_ssa[6] = pos;



  // nstencil_ssa[7] = pos;

  // Subphase 7: lower left back bins (purple)

  for (k = -sz; k <= 0; k++)

    for (j = -sy; j <= 0; j++)
@@ -138,7 +139,7 @@ void NStencilHalfBin3dNewtonSSA::create() 
          stencilxyz[pos][2] = k;

          stencil[pos++] = k*mbiny*mbinx + j*mbinx + i;

        }

  nstencil_ssa[7] = pos;

  //nstencil_ssa[8] = pos;



  // Also, include the centroid for the AIR ghosts.

  stencilxyz[pos][0] = 0;

src/USER-DPD/nstencil_ssa.h

+2 −1
Original line number Diff line number Diff line
@@ -24,7 +24,8 @@ class NStencilSSA : public NStencil { 
  ~NStencilSSA() {}

  virtual void create() = 0;



  int nstencil_ssa[8];  // last stencil index for each subphase

  // first stencil index for each subphase, with last index at end

  int nstencil_ssa[5];

};



}

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