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tsoc
openmm
Commits
a770038f
Unverified
Commit
a770038f
authored
Jan 30, 2019
by
peastman
Committed by
GitHub
Jan 30, 2019
Browse files
Merge pull request #2248 from peastman/customgbtable
Fixed error using tabulated functions with a CustomGBForce
parents
30592159
596be80f
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platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
+2
-0
platforms/opencl/src/OpenCLKernels.cpp
platforms/opencl/src/OpenCLKernels.cpp
+2
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platforms/cuda/src/CudaKernels.cpp
View file @
a770038f
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@@ -4100,6 +4100,8 @@ double CudaCalcCustomGBForceKernel::execute(ContextImpl& context, bool includeFo
for (auto& buffer : d->getBuffers())
gradientChainRuleArgs.push_back(&buffer.getMemory());
}
for (auto& function : tabulatedFunctions)
gradientChainRuleArgs.push_back(&function.getDevicePointer());
}
}
if (globals.isInitialized()) {
...
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platforms/opencl/src/OpenCLKernels.cpp
View file @
a770038f
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@@ -4365,6 +4365,8 @@ double OpenCLCalcCustomGBForceKernel::execute(ContextImpl& context, bool include
for (auto& buffer : d->getBuffers())
gradientChainRuleKernel.setArg<cl::Memory>(index++, buffer.getMemory());
}
for (auto& function : tabulatedFunctions)
gradientChainRuleKernel.setArg<cl::Buffer>(index++, function.getDeviceBuffer());
}
}
if (globals.isInitialized()) {
...
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