[Columbus] Problem when running MCSCF
Hans Lischka
hans.lischka at univie.ac.at
Sat Mar 29 11:22:21 EDT 2025
Hi Yicheng,
It looks like insufficient memory to me. Please send us more
information, like the mcdrtls, mcscfls, runls and runc.error files.
What is the size of the basis set, the CAS and the number of configurations?
Best regards, Hans
On 3/28/2025 3:11 PM, Yicheng Zhu via Columbus wrote:
> Hi maintainers: I encountered the error when running MCSCF, what could
> be the problem of it? The exceeding size of active space? Best,
> Yicheng bummer (fatal): blkasn: left=-224336566
>
>
> Hi maintainers:
> I encountered the error when running MCSCF, what could be the problem
> of it? The exceeding size of active space?
> Best,
> Yicheng
>
> bummer (fatal):blkasn: left=-224336566
>
>
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> Columbus at lists.osc.edu
> https://lists.osu.edu/mailman/listinfo/columbus
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