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Commit ba3cefdc authored by Peter Eastman's avatar Peter Eastman
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Fixed error using PME on CPU

parent 0c4af105
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Showing with 6 additions and 3 deletions
platforms/opencl/src/OpenCLKernels.cpp
View file @ ba3cefdc
...@@ -1263,6 +1263,7 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ ...@@ -1263,6 +1263,7 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ
cl::Program program = cl.createProgram(file, pmeDefines); cl::Program program = cl.createProgram(file, pmeDefines);
pmeUpdateBsplinesKernel = cl::Kernel(program, "updateBsplines"); pmeUpdateBsplinesKernel = cl::Kernel(program, "updateBsplines");
pmeAtomRangeKernel = cl::Kernel(program, "findAtomRangeForGrid"); pmeAtomRangeKernel = cl::Kernel(program, "findAtomRangeForGrid");
if (!deviceIsCpu)
pmeZIndexKernel = cl::Kernel(program, "recordZIndex"); pmeZIndexKernel = cl::Kernel(program, "recordZIndex");
pmeSpreadChargeKernel = cl::Kernel(program, "gridSpreadCharge"); pmeSpreadChargeKernel = cl::Kernel(program, "gridSpreadCharge");
pmeConvolutionKernel = cl::Kernel(program, "reciprocalConvolution"); pmeConvolutionKernel = cl::Kernel(program, "reciprocalConvolution");
...@@ -1276,8 +1277,10 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ ...@@ -1276,8 +1277,10 @@ double OpenCLCalcNonbondedForceKernel::execute(ContextImpl& context, bool includ
pmeAtomRangeKernel.setArg<cl::Buffer>(0, pmeAtomGridIndex->getDeviceBuffer()); pmeAtomRangeKernel.setArg<cl::Buffer>(0, pmeAtomGridIndex->getDeviceBuffer());
pmeAtomRangeKernel.setArg<cl::Buffer>(1, pmeAtomRange->getDeviceBuffer()); pmeAtomRangeKernel.setArg<cl::Buffer>(1, pmeAtomRange->getDeviceBuffer());
pmeAtomRangeKernel.setArg<cl::Buffer>(2, cl.getPosq().getDeviceBuffer()); pmeAtomRangeKernel.setArg<cl::Buffer>(2, cl.getPosq().getDeviceBuffer());
if (!deviceIsCpu) {
pmeZIndexKernel.setArg<cl::Buffer>(0, pmeAtomGridIndex->getDeviceBuffer()); pmeZIndexKernel.setArg<cl::Buffer>(0, pmeAtomGridIndex->getDeviceBuffer());
pmeZIndexKernel.setArg<cl::Buffer>(1, cl.getPosq().getDeviceBuffer()); pmeZIndexKernel.setArg<cl::Buffer>(1, cl.getPosq().getDeviceBuffer());
}
pmeSpreadChargeKernel.setArg<cl::Buffer>(0, cl.getPosq().getDeviceBuffer()); pmeSpreadChargeKernel.setArg<cl::Buffer>(0, cl.getPosq().getDeviceBuffer());
pmeSpreadChargeKernel.setArg<cl::Buffer>(1, pmeAtomGridIndex->getDeviceBuffer()); pmeSpreadChargeKernel.setArg<cl::Buffer>(1, pmeAtomGridIndex->getDeviceBuffer());
pmeSpreadChargeKernel.setArg<cl::Buffer>(2, pmeAtomRange->getDeviceBuffer()); pmeSpreadChargeKernel.setArg<cl::Buffer>(2, pmeAtomRange->getDeviceBuffer());
......
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