unknown error while RELCCSD

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Himadri Pathak

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Apr 19, 2022, 11:14:48 AMApr 19
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Hello experts,
                        I am trying to run RELCCSD using DIRAC for water dimer with dyall.ae4z basis. I have not frozen any spinors. I have sufficient storage space as well as allocated memory. After SCF,  I am getting below error. Could any of you help me to fix this?

pam: Caught signal #1(1) but dirac.x process group is going to be terminated with stronger ammunution - signal #2 (SIGINT).

  Thanks,
 Himadri 

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Himadri Pathak
Advanced Computing, Mathematics, and Data Division,
Pacific Northwest National Laboratory (PNNL)
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Ilias Miroslav, doc. RNDr., PhD.

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Apr 19, 2022, 3:02:29 PMApr 19
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Please provide also input and output files, together with the full log file to see the launching command.

Miro



From: dirac...@googlegroups.com <dirac...@googlegroups.com> on behalf of Himadri Pathak <hmdr...@gmail.com>
Sent: Tuesday, April 19, 2022 17:14
To: dirac...@googlegroups.com <dirac...@googlegroups.com>
Subject: [dirac-users] unknown error while RELCCSD
 
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Himadri Pathak

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Apr 20, 2022, 8:35:36 PMApr 20
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Dear Prof. Saue, 
Dear Dr. Ilias,
                            Thank you for replying. I could fix the error. It has nothing to do with DIRAC. One of our supercomputers is giving trouble. 


Thanking You,
With Best Regards,
Himadri 





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