: commandStream_ = nullptr;
- integrator_ = std::make_unique<LeapFrogGpu>(commandStream_);
- lincsGpu_ = std::make_unique<LincsGpu>(ir.nLincsIter, ir.nProjOrder, commandStream_);
- settleGpu_ = std::make_unique<SettleGpu>(mtop, commandStream_);
+ integrator_ = std::make_unique<LeapFrogGpu>(deviceContext_, commandStream_);
+ lincsGpu_ = std::make_unique<LincsGpu>(ir.nLincsIter, ir.nProjOrder, deviceContext_, commandStream_);
+ settleGpu_ = std::make_unique<SettleGpu>(mtop, deviceContext_, commandStream_);
coordinateScalingKernelLaunchConfig_.blockSize[0] = c_threadsPerBlock;
coordinateScalingKernelLaunchConfig_.blockSize[1] = 1;
numAtoms_ = md.nr;
- reallocateDeviceBuffer(&d_xp_, numAtoms_, &numXp_, &numXpAlloc_, nullptr);
+ reallocateDeviceBuffer(&d_xp_, numAtoms_, &numXp_, &numXpAlloc_, deviceContext_);
reallocateDeviceBuffer(&d_inverseMasses_, numAtoms_, &numInverseMasses_,
- &numInverseMassesAlloc_, nullptr);
+ &numInverseMassesAlloc_, deviceContext_);
// Integrator should also update something, but it does not even have a method yet
integrator_->set(md, numTempScaleValues, md.cTC);