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MPI case: How much memory shall be set?

In the parallel MPI version both settings for memory, namely $ricore and $maxcor are entries per process. If several processes run on the same node the total sum of NCPU*($ricore + $maxcor) must not be larger than the total memory on that system. Please note that both keywords are not settings for the total amount of memory the TURBOMOLE modules need, but only for storage of intermediates in case of ricc2 ($maxcor) or RI integrals and matrices for ridft and ricc2 ($ricore). Especially for larger molecules and/or basis sets, set $ricore to a small value of a few hundred MB only.



TURBOMOLE M