Using 128 mpiprocs on EIGER is usually too many for atomic calculation which will cause spurious issues.
I confined the max number of procs used for those calculations. Since the atomic calculations are fast and not time/resource consuming, this will not influence too much of the performance.
Using 128 mpiprocs on EIGER is usually too many for atomic calculation which will cause spurious issues. I confined the max number of procs used for those calculations. Since the atomic calculations are fast and not time/resource consuming, this will not influence too much of the performance.