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Commit b7119534 authored by Peter Eastman's avatar Peter Eastman
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Bug fix to OpenCL RPMD

parent 49e268f1
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plugins/rpmd/platforms/opencl/src/kernels/rpmd.cl
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...@@ -35,7 +35,7 @@ __kernel void applyPileThermostat(__global float4* velm, __local float4* v, __lo ...@@ -35,7 +35,7 @@ __kernel void applyPileThermostat(__global float4* velm, __local float4* v, __lo
if (get_local_id(0) < NUM_COPIES) if (get_local_id(0) < NUM_COPIES)
w[indexInBlock] = (float2) (cos(-indexInBlock*2*M_PI/NUM_COPIES), sin(-indexInBlock*2*M_PI/NUM_COPIES)); w[indexInBlock] = (float2) (cos(-indexInBlock*2*M_PI/NUM_COPIES), sin(-indexInBlock*2*M_PI/NUM_COPIES));
barrier(CLK_LOCAL_MEM_FENCE); barrier(CLK_LOCAL_MEM_FENCE);
randomIndex += blockStart; randomIndex += NUM_COPIES*(get_global_id(0)/NUM_COPIES);
for (int particle = get_global_id(0)/NUM_COPIES; particle < NUM_ATOMS; particle += numBlocks) { for (int particle = get_global_id(0)/NUM_COPIES; particle < NUM_ATOMS; particle += numBlocks) {
float4 particleVelm = velm[particle+indexInBlock*PADDED_NUM_ATOMS]; float4 particleVelm = velm[particle+indexInBlock*PADDED_NUM_ATOMS];
float invMass = particleVelm.w; float invMass = particleVelm.w;
......
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