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Commit 81df8d49 authored by peastman's avatar peastman
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Fixed race condition doing PME in a separate stream

parent 97ebc356
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platforms/cuda/src/kernels/pme.cu
View file @ 81df8d49
......@@ -271,9 +271,9 @@ void gridInterpolateForce(const real4* __restrict__ posq, unsigned long long* __
real forceX = -q*(force.x*GRID_SIZE_X*recipBoxVecX.x);
real forceY = -q*(force.x*GRID_SIZE_X*recipBoxVecY.x+force.y*GRID_SIZE_Y*recipBoxVecY.y);
real forceZ = -q*(force.x*GRID_SIZE_X*recipBoxVecZ.x+force.y*GRID_SIZE_Y*recipBoxVecZ.y+force.z*GRID_SIZE_Z*recipBoxVecZ.z);
forceBuffers[atom] += static_cast<unsigned long long>((long long) (forceX*0x100000000));
forceBuffers[atom+PADDED_NUM_ATOMS] += static_cast<unsigned long long>((long long) (forceY*0x100000000));
forceBuffers[atom+2*PADDED_NUM_ATOMS] += static_cast<unsigned long long>((long long) (forceZ*0x100000000));
atomicAdd(&forceBuffers[atom], static_cast<unsigned long long>((long long) (forceX*0x100000000)));
atomicAdd(&forceBuffers[atom+PADDED_NUM_ATOMS], static_cast<unsigned long long>((long long) (forceY*0x100000000)));
atomicAdd(&forceBuffers[atom+2*PADDED_NUM_ATOMS], static_cast<unsigned long long>((long long) (forceZ*0x100000000)));
}
}
......
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