config.sharedMemorySize = 0;
}
- const auto kernelArgs = prepareGpuKernelArguments(kernelPtr, config, &numSettles_, &d_atomIds_,
- &settleParameters_, &d_x, &d_xp, &invdt, &d_v,
- &d_virialScaled_, &pbcAiuc);
+ const auto kernelArgs = prepareGpuKernelArguments(
+ kernelPtr, config, &numSettles_, &d_atomIds_, &settleParameters_, &d_x, &d_xp, &invdt, &d_v, &d_virialScaled_, &pbcAiuc);
- launchGpuKernel(kernelPtr, config, deviceStream_, nullptr,
- "settle_kernel<updateVelocities, computeVirial>", kernelArgs);
+ launchGpuKernel(kernelPtr,
+ config,
+ deviceStream_,
+ nullptr,
+ "settle_kernel<updateVelocities, computeVirial>",
+ kernelArgs);
if (computeVirial)
{
- copyFromDeviceBuffer(h_virialScaled_.data(), &d_virialScaled_, 0, 6, deviceStream_,
- GpuApiCallBehavior::Sync, nullptr);
+ copyFromDeviceBuffer(
+ h_virialScaled_.data(), &d_virialScaled_, 0, 6, deviceStream_, GpuApiCallBehavior::Sync, nullptr);
// Mapping [XX, XY, XZ, YY, YZ, ZZ] internal format to a tensor object
virialScaled[XX][XX] += h_virialScaled_[0];
settler.z = iatoms[i * nral1 + 3]; // Second hydrogen index
h_atomIds_.at(i) = settler;
}
- copyToDeviceBuffer(&d_atomIds_, h_atomIds_.data(), 0, numSettles_, deviceStream_,
- GpuApiCallBehavior::Sync, nullptr);
+ copyToDeviceBuffer(
+ &d_atomIds_, h_atomIds_.data(), 0, numSettles_, deviceStream_, GpuApiCallBehavior::Sync, nullptr);
}
} // namespace gmx