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tsoc
openmm
Commits
9c5efe5d
Commit
9c5efe5d
authored
May 29, 2018
by
Peter Eastman
Browse files
Bug fix
parent
95dc4dc1
Changes
2
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2 changed files
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2 additions
and
2 deletions
+2
-2
platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
+1
-1
platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
+1
-1
No files found.
platforms/cuda/src/CudaKernels.cpp
View file @
9c5efe5d
...
@@ -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();
...
...
platforms/opencl/src/OpenCLKernels.cpp
View file @
9c5efe5d
...
@@ -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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