CUDA local force kernel applied periodic boundary conditions incorrectly.

796b5603 · Peter Eastman · 4bf75f3d · 796b5603
Commit 796b5603 authored Jun 11, 2009 by Peter Eastman
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platforms/cuda/src/kernels/kCalculateLocalForces.cu platforms/cuda/src/kernels/kCalculateLocalForces.cu +2 -2

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--- a/platforms/cuda/src/kernels/kCalculateLocalForces.cu
+++ b/platforms/cuda/src/kernels/kCalculateLocalForces.cu
@@ -547,8 +547,8 @@ __global__ void kCalculateLocalForces_kernel()
                d.y                     = a1.y - a2.y;
                d.z                     = a1.z - a2.z;
                d.x                     -= floor(d.x/cSim.periodicBoxSizeX+0.5f)*cSim.periodicBoxSizeX;
-                d.y                     -= floor(d.x/cSim.periodicBoxSizeY+0.5f)*cSim.periodicBoxSizeY;
+                d.y                     -= floor(d.y/cSim.periodicBoxSizeY+0.5f)*cSim.periodicBoxSizeY;
-                d.z                     -= floor(d.x/cSim.periodicBoxSizeZ+0.5f)*cSim.periodicBoxSizeZ;
+                d.z                     -= floor(d.z/cSim.periodicBoxSizeZ+0.5f)*cSim.periodicBoxSizeZ;
                float r2                = DOT3(d, d);
                float inverseR          = 1.0f / sqrt(r2);
                float sig2              = inverseR * LJ14.y;