Commit 9c5efe5d authored by Peter Eastman's avatar Peter Eastman
Browse files

Bug fix

parent 95dc4dc1
...@@ -3005,7 +3005,7 @@ double CudaCalcGBSAOBCForceKernel::execute(ContextImpl& context, bool includeFor ...@@ -3005,7 +3005,7 @@ double CudaCalcGBSAOBCForceKernel::execute(ContextImpl& context, bool includeFor
if (nb.getUseCutoff()) { if (nb.getUseCutoff()) {
if (maxTiles < nb.getInteractingTiles().getSize()) { if (maxTiles < nb.getInteractingTiles().getSize()) {
maxTiles = nb.getInteractingTiles().getSize(); maxTiles = nb.getInteractingTiles().getSize();
computeSumArgs[3] = &nb.getInteractingTiles().getDevicePointer(); computeSumArgs[4] = &nb.getInteractingTiles().getDevicePointer();
force1Args[7] = &nb.getInteractingTiles().getDevicePointer(); force1Args[7] = &nb.getInteractingTiles().getDevicePointer();
computeSumArgs[14] = &nb.getInteractingAtoms().getDevicePointer(); computeSumArgs[14] = &nb.getInteractingAtoms().getDevicePointer();
force1Args[17] = &nb.getInteractingAtoms().getDevicePointer(); force1Args[17] = &nb.getInteractingAtoms().getDevicePointer();
......
...@@ -3161,7 +3161,7 @@ double OpenCLCalcGBSAOBCForceKernel::execute(ContextImpl& context, bool includeF ...@@ -3161,7 +3161,7 @@ double OpenCLCalcGBSAOBCForceKernel::execute(ContextImpl& context, bool includeF
setPeriodicBoxArgs(cl, force1Kernel, 9); setPeriodicBoxArgs(cl, force1Kernel, 9);
if (maxTiles < nb.getInteractingTiles().getSize()) { if (maxTiles < nb.getInteractingTiles().getSize()) {
maxTiles = nb.getInteractingTiles().getSize(); maxTiles = nb.getInteractingTiles().getSize();
computeBornSumKernel.setArg<cl::Buffer>(3, nb.getInteractingTiles().getDeviceBuffer()); computeBornSumKernel.setArg<cl::Buffer>(4, nb.getInteractingTiles().getDeviceBuffer());
computeBornSumKernel.setArg<cl_uint>(11, maxTiles); computeBornSumKernel.setArg<cl_uint>(11, maxTiles);
computeBornSumKernel.setArg<cl::Buffer>(14, nb.getInteractingAtoms().getDeviceBuffer()); computeBornSumKernel.setArg<cl::Buffer>(14, nb.getInteractingAtoms().getDeviceBuffer());
force1Kernel.setArg<cl::Buffer>(7, nb.getInteractingTiles().getDeviceBuffer()); force1Kernel.setArg<cl::Buffer>(7, nb.getInteractingTiles().getDeviceBuffer());
......
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