TestReferenceData refData;
for (const auto &context : getPmeTestEnv()->getHardwareContexts())
{
+ std::shared_ptr<StatePropagatorDataGpu> stateGpu;
CodePath codePath = context->getCodePath();
const bool supportedInput = pmeSupportsInputForMode(*getPmeTestEnv()->hwinfo(), &inputRec, codePath);
if (!supportedInput)
{
/* Testing the failure for the unsupported input */
- EXPECT_THROW(pmeInitAtoms(&inputRec, codePath, nullptr, nullptr, inputAtomData.coordinates, inputAtomData.charges, box), NotImplementedError);
+ EXPECT_THROW(pmeInitAtoms(&inputRec, codePath, nullptr, nullptr, inputAtomData.coordinates, inputAtomData.charges, box, stateGpu), NotImplementedError);
continue;
}
));
PmeSafePointer pmeSafe = pmeInitAtoms(&inputRec, codePath, context->getDeviceInfo(),
- context->getPmeGpuProgram(), inputAtomData.coordinates, inputAtomData.charges, box);
+ context->getPmeGpuProgram(), inputAtomData.coordinates, inputAtomData.charges, box, stateGpu);
/* Setting some more inputs */
pmeSetRealGrid(pmeSafe.get(), codePath, nonZeroGridValues);