issues with M06-2X dispersion / aug-cc-pVTZ optimization

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3:43:45 PM PST - Tue, Feb 5th 2013
RE: ARMCI_DEFAULT_SHMMAX
Hello Edo, I wasn't aware of such an environment setting. I found "kernel.shmmax = 20971520000" on my system, then I assume I can set ARMCI_DEFAULT_SHMMAX to 20000 (20971520000/1024/1024), am I right? Thank you! Best, Yue