| 10:49:21 AM PDT - Mon, Jul 16th 2012 |
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Yudong,
You may want to use the "memory" keyword and specify more memory, more then what gets set by default (increase stack). On the Cray the MP2 tries to keep integrals in memory (per Huub's comments), and it will need more than the small default memory for that.
Bert
Quote:Ysun Jul 12th 12:42 pmHi Huub,
I have tried NWChem 6.1.1 and still got the same error:
moints_semi: failed to open half int file:: 0
Thanks,
Yudong |