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OMP MRCC hanging process

  • lixpas
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9 years 3 days ago - 9 years 3 days ago #245 by lixpas
OMP MRCC hanging process was created by lixpas
Dear MRCC developers,

I am currently running CCSDT(Q) and CCSDTQ calculations on orbitals from DIRAC with OMP version of MRCC. Several times I ran into a problem of the calculation hanging (randomly) in the middle of the CC iterations. I receive no error message, the mrcc and dmrcc processes are still alive, but not accessing any files or consuming any CPU resources for a long period of time (days).

If I attach strace to the mrcc process, it gives back:
futex(0x2aaaaf76be84, FUTEX_WAIT_PRIVATE, 3625, NULL
(of course, the numbers can differ from one instance to another)

gdb backtrace for the same process is attached as a file. So is the output file. Input files are generated from DIRAC via dirac_mointegral_export utility.

It appears to be a problem with parallelization. Possibly multiple threads finish their execution at the exact same time and are therefore waiting for one another indefinitely. Have you encountered similar problems before? Do you have any suggestions what to look for?

Thank you in advance

Lukas
Attachments:
Last edit: 9 years 3 days ago by lixpas. Reason: attaching files with correct txt extension

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  • kallay
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9 years 3 days ago #246 by kallay
Replied by kallay on topic OMP MRCC hanging process
Dear Lukas,
It is strange. I have never encountered this problem. Unfortunately I have no idea what the solution is.
Best regards,
Mihaly Kallay

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