| 11:30:21 AM PST - Wed, Jan 25th 2012 |
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I need more information, such as the full input file and a larger part of the output. The relevant error information is way before this.
Bert
Quote: Jan 25th 2:30 pmThank you very much, it works.
Unfortunately, there was another problem.
The charges are calculated in the Pople basis sets and cc-X.
However, the program crashed in the basis sets aug-cc-X or d-aug-cc-X, with the message:
(rank:0 hostname:abvgd pid:3952):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
0: ARMCI aborting 0 (0).[/quote]
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