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Re: "Fatal error in MEMCI" while starting (16,16) or larger AS in CASSCF

Thomas
thomaspijper@hotmail.com

Dear Roman,

Could you post some more details on your calculation, preferably the input and output file? Without any details it is hard to say what is going wrong in your calculation.


Kind regards,
Thom


On Tue Mar 26 '13 4:02pm, Roman Kroik wrote
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>Hi! When I try to calculate the CASSCF active space of (16,16) or larger dimension, my calculation finishes fast with "Fatal error in MEMCI". Tell me please, what is the cause of this error?

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