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Commit b41d77a9 authored by Peter Eastman's avatar Peter Eastman
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Fixed bug in identifying exclusions

parent dbd2927c
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platforms/opencl/src/kernels/nonbonded_default.cl
View file @ b41d77a9
...@@ -127,8 +127,9 @@ void computeNonbonded(__global float4* forceBuffers, __global float* energyBuffe ...@@ -127,8 +127,9 @@ void computeNonbonded(__global float4* forceBuffers, __global float* energyBuffe
unsigned int tile = xi+yi*PADDED_NUM_ATOMS/TILE_SIZE-yi*(yi+1)/2; unsigned int tile = xi+yi*PADDED_NUM_ATOMS/TILE_SIZE-yi*(yi+1)/2;
#ifdef USE_EXCLUSIONS #ifdef USE_EXCLUSIONS
unsigned int excl = (hasExclusions ? exclusions[exclusionIndices[tile]+tgx] : 0xFFFFFFFF); unsigned int excl = (hasExclusions ? exclusions[exclusionIndices[tile]+tgx] : 0xFFFFFFFF);
excl = (excl >> baseLocalAtom) & 0xFFFF;
excl += excl << 16;
excl = (excl >> tgx) | (excl << (TILE_SIZE - tgx)); excl = (excl >> tgx) | (excl << (TILE_SIZE - tgx));
excl >>= baseLocalAtom;
#endif #endif
unsigned int tj = tgx%(TILE_SIZE/2); unsigned int tj = tgx%(TILE_SIZE/2);
for (unsigned int j = 0; j < TILE_SIZE/2; j++) { for (unsigned int j = 0; j < TILE_SIZE/2; j++) {
......
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