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[testlib] Added MetalWalls scalability test for `mw`

Open Crivella opened this issue 7 months ago • 2 comments

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.

Crivella avatar Jul 12 '24 14:07 Crivella