Merge pull request #1552 from peastman/segfault

Fixed segfault related to parameter derivatives

Merge pull request #1552 from peastman/segfault
Fixed segfault related to parameter derivatives
c1843f54 · peastman · GitHub · 09a05c0a · 3c65f15b · c1843f54
Commit c1843f54 authored Aug 08, 2016 by peastman Committed by GitHub Aug 08, 2016
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platforms/cuda/src/CudaKernels.cpp platforms/cuda/src/CudaKernels.cpp +1 -1

platforms/opencl/src/OpenCLKernels.cpp platforms/opencl/src/OpenCLKernels.cpp +1 -1

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--- a/platforms/cuda/src/CudaKernels.cpp
+++ b/platforms/cuda/src/CudaKernels.cpp
@@ -3061,7 +3061,7 @@ void CudaCalcCustomGBForceKernel::initialize(const System& system, const CustomG
    int elementSize = (cu.getUseDoublePrecision() ? sizeof(double) : sizeof(float));
    needEnergyParamDerivs = (force.getNumEnergyParameterDerivatives() > 0);
    for (int i = 0; i < force.getNumEnergyParameterDerivatives(); i++) {
-        dValuedParam.push_back(new CudaParameterSet(cu, force.getNumComputedValues(), cu.getPaddedNumAtoms(), "dValuedParam", true));
+        dValuedParam.push_back(new CudaParameterSet(cu, force.getNumComputedValues(), cu.getPaddedNumAtoms(), "dValuedParam", true, cu.getUseDoublePrecision()));
        dValue0dParam.push_back(CudaArray::create<long long>(cu, cu.getPaddedNumAtoms(), "dValue0dParam"));
        cu.addAutoclearBuffer(*dValue0dParam.back());
        string name = force.getEnergyParameterDerivativeName(i);

--- a/platforms/opencl/src/OpenCLKernels.cpp
+++ b/platforms/opencl/src/OpenCLKernels.cpp
@@ -3159,7 +3159,7 @@ void OpenCLCalcCustomGBForceKernel::initialize(const System& system, const Custo
    int elementSize = (cl.getUseDoublePrecision() ? sizeof(cl_double) : sizeof(cl_float));
    needEnergyParamDerivs = (force.getNumEnergyParameterDerivatives() > 0);
    for (int i = 0; i < force.getNumEnergyParameterDerivatives(); i++) {
-        dValuedParam.push_back(new OpenCLParameterSet(cl, force.getNumComputedValues(), cl.getPaddedNumAtoms(), "dValuedParam", true));
+        dValuedParam.push_back(new OpenCLParameterSet(cl, force.getNumComputedValues(), cl.getPaddedNumAtoms(), "dValuedParam", true, cl.getUseDoublePrecision()));
        if (useLong)
            dValue0dParam.push_back(OpenCLArray::create<cl_long>(cl, cl.getPaddedNumAtoms(), "dValue0dParam"));
        else