Include PME optimization for OpenCL on CPU

a3a17da1 · peastman · f2e734dc · a3a17da1
Commit a3a17da1 authored Feb 06, 2018 by peastman
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platforms/opencl/src/kernels/pme.cl platforms/opencl/src/kernels/pme.cl +2 -0

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--- a/platforms/opencl/src/kernels/pme.cl
+++ b/platforms/opencl/src/kernels/pme.cl
@@ -226,6 +226,8 @@ __kernel void gridSpreadCharge(__global const real4* restrict posq, __global con
 #else
        const real charge = pos.w;
 #endif
+        if (charge == 0)
+            continue;
        bool hasComputedThetas = false;
        for (int ix = 0; ix < PME_ORDER; ix++) {
            int xindex = gridIndex.x+ix;