unknown error while RELCCSD

[Himadri Pathak]

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)

Email: himadri...@pnnl.gov

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[Ilias Miroslav, doc. RNDr., PhD.]

Please provide also input and output files, together with the full log file to see the launching command.

Miro

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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]

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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