Skip to content

GitLab

Commit e3142025 authored by Peter Eastman's avatar Peter Eastman
Browse files

Fixed bug in identifying exclusions

parent 70c577f2
Hide whitespace changes
Inline Side-by-side
Showing with 4 additions and 2 deletions
platforms/opencl/src/kernels/customGBEnergyN2_default.cl
View file @ e3142025
...@@ -121,8 +121,9 @@ void computeN2Energy(__global float4* forceBuffers, __global float* energyBuffer ...@@ -121,8 +121,9 @@ void computeN2Energy(__global float4* forceBuffers, __global float* energyBuffer
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++) {
......
platforms/opencl/src/kernels/customGBValueN2_default.cl
View file @ e3142025
...@@ -115,8 +115,9 @@ void computeN2Value(__global float4* posq, __local float4* local_posq, __global ...@@ -115,8 +115,9 @@ void computeN2Value(__global float4* posq, __local float4* local_posq, __global
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++) {
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment