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#1 2022-12-22 09:25:24
- Shikha Lalwani
- Member
- Registered: 2022-12-20
- Posts: 1
Pymolcas not verified
Hello,
I am a new openmolcas user. I am on the first step of using OpenMolcas i.e. installation. I have encountered a problem in 'pymolcas - verify' step.
The error message that I am recieving is
Grayzone: 832 Failed! (scf)
Grayzone: 834 Skipped!
Grayzone: 898 Failed! (caspt2)I would like to inquire how this problem could be fixed, thank you very much in advance.
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#2 2022-12-22 10:51:30
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,085
Re: Pymolcas not verified
Failures in "grayzone" are expected, nothing to be worried about if everything else passes.
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