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tsoc
openmm
Commits
de4c9900
Commit
de4c9900
authored
Jun 11, 2019
by
peastman
Browse files
Fixed error on GPUs that don't support 64 bit atomics
parent
dbbf7c3e
Changes
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platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
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platforms/opencl/src/OpenCLKernels.cpp
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de4c9900
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@@ -2395,9 +2395,9 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ
cl.executeKernel(pmeDispersionSpreadChargeKernel, 2*cl.getDevice().getInfo<CL_DEVICE_MAX_COMPUTE_UNITS>(), 1);
}
else {
if (cl.getSupports64BitGlobalAtomics()) {
if (!hasCoulomb)
sort->sort(pmeAtomGridIndex);
if (cl.getSupports64BitGlobalAtomics()) {
cl.clearBuffer(pmeGrid2);
setPeriodicBoxArgs(cl, pmeDispersionSpreadChargeKernel, 5);
if (cl.getUseDoublePrecision()) {
...
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@@ -2414,6 +2414,7 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ
cl.executeKernel(pmeDispersionFinishSpreadChargeKernel, gridSizeX*gridSizeY*gridSizeZ);
}
else {
sort->sort(pmeAtomGridIndex);
cl.clearBuffer(pmeGrid1);
cl.executeKernel(pmeDispersionAtomRangeKernel, cl.getNumAtoms());
setPeriodicBoxSizeArg(cl, pmeDispersionZIndexKernel, 2);
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