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Fixed bugs with special bonds for ellipsoid gpu pair styles

This commit is contained in:
Trung Nguyen 2020-04-25 10:28:18 -05:00
parent 0766350838
commit 1295a9ef46
1 changed files with 6 additions and 6 deletions
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12
lib/gpu/lal_ellipsoid_nbor.cu
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@ -53,8 +53,8 @@ __kernel void kernel_nbor(const __global numtyp4 *restrict x_,
int itype=fast_mul(iw,ntypes); int itype=fast_mul(iw,ntypes);
int newj=0; int newj=0;
for ( ; nbor<nbor_end; nbor+=nbor_pitch) { for ( ; nbor<nbor_end; nbor+=nbor_pitch) {
int j=dev_ij[nbor]; int sj=dev_ij[nbor];
j &= NEIGHMASK; int j = sj & NEIGHMASK;
numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j]; numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j];
int jtype=jx.w; int jtype=jx.w;
int mtype=itype+jtype; int mtype=itype+jtype;
@ -69,7 +69,7 @@ __kernel void kernel_nbor(const __global numtyp4 *restrict x_,
rsq+=t*t; rsq+=t*t;
if (rsq<cf.x) { if (rsq<cf.x) {
dev_nbor[packed]=j; dev_nbor[packed]=sj;
packed+=nbor_pitch; packed+=nbor_pitch;
newj++; newj++;
} }
@ -117,8 +117,8 @@ __kernel void kernel_nbor_fast(const __global numtyp4 *restrict x_,
int newj=0; int newj=0;
for ( ; nbor<nbor_end; nbor+=nbor_pitch) { for ( ; nbor<nbor_end; nbor+=nbor_pitch) {
int j=dev_ij[nbor]; int sj=dev_ij[nbor];
j &= NEIGHMASK; int j = sj & NEIGHMASK;
numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j]; numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j];
int jtype=jx.w; int jtype=jx.w;
int mtype=itype+jtype; int mtype=itype+jtype;
@ -133,7 +133,7 @@ __kernel void kernel_nbor_fast(const __global numtyp4 *restrict x_,
rsq+=t*t; rsq+=t*t;
if (rsq<cutsq[mtype]) { if (rsq<cutsq[mtype]) {
dev_nbor[packed]=j; dev_nbor[packed]=sj;
packed+=nbor_pitch; packed+=nbor_pitch;
newj++; newj++;
} }