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

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3:26:04 PM PST - Tue, Feb 5th 2013
ARMCI_DEFAULT_SHMMAX
Yue Those warning are often the first symptoms of memory problems later in the NWChem run. This problems can be bypassed by setting the env. variable ARMCI_DEFAULT_SHMMAX. Have you defined it? http://nwchemgit.github.io/Special_AWCforum/sp/id2275