MCGPU does not currently support simulations that use bond/angle flexibility running on the GPU. The code is there, and runs correctly on the CPU, but has not been properly parallelized.
Steps have been taken to get the movements on the GPU, including GPUCopy fields and some initial OpenACC pragmas, but these are not complete.
MCGPU does not currently support simulations that use bond/angle flexibility running on the GPU. The code is there, and runs correctly on the CPU, but has not been properly parallelized.
Steps have been taken to get the movements on the GPU, including GPUCopy fields and some initial OpenACC pragmas, but these are not complete.