const DeviceStream& deviceStream = testDevice_.deviceStream();
setActiveDevice(testDevice_.deviceInfo());
- auto lincsGpu = std::make_unique<LincsGpu>(testData->ir_.nLincsIter, testData->ir_.nProjOrder,
- deviceContext, deviceStream);
+ auto lincsGpu = std::make_unique<LincsGpu>(
+ testData->ir_.nLincsIter, testData->ir_.nProjOrder, deviceContext, deviceStream);
bool updateVelocities = true;
int numAtoms = testData->numAtoms_;
allocateDeviceBuffer(&d_xp, numAtoms, deviceContext);
allocateDeviceBuffer(&d_v, numAtoms, deviceContext);
- copyToDeviceBuffer(&d_x, (float3*)(testData->x_.data()), 0, numAtoms, deviceStream,
- GpuApiCallBehavior::Sync, nullptr);
- copyToDeviceBuffer(&d_xp, (float3*)(testData->xPrime_.data()), 0, numAtoms, deviceStream,
- GpuApiCallBehavior::Sync, nullptr);
+ copyToDeviceBuffer(
+ &d_x, (float3*)(testData->x_.data()), 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
+ copyToDeviceBuffer(
+ &d_xp, (float3*)(testData->xPrime_.data()), 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
if (updateVelocities)
{
- copyToDeviceBuffer(&d_v, (float3*)(testData->v_.data()), 0, numAtoms, deviceStream,
- GpuApiCallBehavior::Sync, nullptr);
+ copyToDeviceBuffer(
+ &d_v, (float3*)(testData->v_.data()), 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
}
- lincsGpu->apply(d_x, d_xp, updateVelocities, d_v, testData->invdt_, testData->computeVirial_,
- testData->virialScaled_, pbcAiuc);
+ lincsGpu->apply(
+ d_x, d_xp, updateVelocities, d_v, testData->invdt_, testData->computeVirial_, testData->virialScaled_, pbcAiuc);
- copyFromDeviceBuffer((float3*)(testData->xPrime_.data()), &d_xp, 0, numAtoms, deviceStream,
- GpuApiCallBehavior::Sync, nullptr);
+ copyFromDeviceBuffer(
+ (float3*)(testData->xPrime_.data()), &d_xp, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
if (updateVelocities)
{
- copyFromDeviceBuffer((float3*)(testData->v_.data()), &d_v, 0, numAtoms, deviceStream,
- GpuApiCallBehavior::Sync, nullptr);
+ copyFromDeviceBuffer(
+ (float3*)(testData->v_.data()), &d_v, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
}
freeDeviceBuffer(&d_x);