This PR adds a reframe reusable test for MetalWalls
The tests make use of the benchmark files present in the same repo under hackatonGPU/benchmark* testing systems with different number of atoms (per solvent/electrodes) and different type of calculations.
This PR adds a reframe reusable test for MetalWalls
The tests make use of the benchmark files present in the same repo under hackatonGPU/benchmark* testing systems with different number of atoms (per solvent/electrodes) and different type of calculations.