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tsoc
openmm
Commits
2f6a3569
Commit
2f6a3569
authored
Oct 01, 2019
by
Peter Eastman
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Make sure correct CUDA context is current
parent
5e8265c7
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platforms/cuda/src/CudaKernels.cpp
platforms/cuda/src/CudaKernels.cpp
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platforms/cuda/src/CudaKernels.cpp
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2f6a3569
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@@ -120,6 +120,7 @@ void CudaCalcForcesAndEnergyKernel::beginComputation(ContextImpl& context, bool
}
double CudaCalcForcesAndEnergyKernel::finishComputation(ContextImpl& context, bool includeForces, bool includeEnergy, int groups, bool& valid) {
cu.setAsCurrent();
cu.getBondedUtilities().computeInteractions(groups);
cu.getNonbondedUtilities().computeInteractions(groups, includeForces, includeEnergy);
double sum = 0.0;
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