Author Topic: Strange behavior Ubuntu 18 vs Ubuntu 22  (Read 1139 times)

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Offline ko4

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Strange behavior Ubuntu 18 vs Ubuntu 22
« on: February 20, 2023, 17:08 »
The same version of Quantum ATK 2021.06 runs in multiprocessor parallel mode in Ubuntu 18 and does not run in Ubuntu 22. All other modes work properly. How can I fix it?

Offline filipr

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Re: Strange behavior Ubuntu 18 vs Ubuntu 22
« Reply #1 on: February 27, 2023, 11:01 »
What do you mean by "not run"? How do you run it? and does it show any error messages?

Offline ko4

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Re: Strange behavior Ubuntu 18 vs Ubuntu 22
« Reply #2 on: March 12, 2023, 08:08 »
There are no errors. The log file is not generated. After a couple of seconds after starting, a message "The job has finished" appears in the Job window. The problem is related to Intel MPI parallelization, but it is not clear how to solve it.
« Last Edit: March 12, 2023, 08:10 by ko4 »

Offline filipr

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Re: Strange behavior Ubuntu 18 vs Ubuntu 22
« Reply #3 on: March 13, 2023, 09:24 »
First try to run the script in serial from the terminal like so:
Code
export I_MPI_DEBUG=5
/path/to/quantumatk/bin/atkpython your_script.py
if that works, then try to run in parallel like so:
Code
export I_MPI_DEBUG=5
/path/to/quantumatk/libexec/mpiexec.hydra -n <#PROCS> /path/to/quantumatk/bin/atkpython your_script.py
where <#PROCS> are the number of MPI processes you want to use. If any of these fail, please report back any output or error messages that are shown.

Offline ko4

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Re: Strange behavior Ubuntu 18 vs Ubuntu 22
« Reply #4 on: March 17, 2023, 06:56 »
Thank you for your response.
I did it (using a terminal in Ubuntu 22) but without "export I_MPI_DEBUG=5".
The error was like this: "BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES. EXIT CODE 11 (or 9 or 139)".

In serial mode there is no problem.

Offline Anders Blom

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Re: Strange behavior Ubuntu 18 vs Ubuntu 22
« Reply #5 on: March 17, 2023, 20:29 »
Well, the point was to use I_MPI_DEBUG=5, else there is no debug information to help solve the problem...