aiidateam / aiida-tutorials

AiiDA tutorials web site
http://aiida-tutorials.readthedocs.org
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mpirun was unable to launch the specified application as it could not access or execute an executable #465

Closed Clarkszw closed 1 year ago

Clarkszw commented 1 year ago

Hi experts, I got a finished[305] result from the tutorials calculation job. Tried to investigate through the report and searched around. Need some help to overcome it:)

Finished [305] Both the stdout and XML output files could not be read or parsed.

# verdi process report 
*** 207: None
*** (empty scheduler output file)
*** Scheduler errors:
--------------------------------------------------------------------------
mpirun was unable to launch the specified application as it could not access
or execute an executable:

Executable: /opt/conda/bin/pw.x
Node: aiida-machine

while attempting to start process rank 0.
--------------------------------------------------------------------------

*** 4 LOG MESSAGES:
+-> WARNING at 2023-01-11 18:27:12.976186+00:00
 | key 'symmetries' is not present in raw output dictionary
+-> ERROR at 2023-01-11 18:27:13.025656+00:00
 | ERROR_OUTPUT_STDOUT_INCOMPLETE
+-> ERROR at 2023-01-11 18:27:13.033413+00:00
 | Both the stdout and XML output files could not be read or parsed.
+-> WARNING at 2023-01-11 18:27:13.038438+00:00
 | output parser returned exit code<305>: Both the stdout and XML output files could not be read or parsed.

Is this because of the scheduler error of mpirun?

Thanks in advance:)

Clarkszw commented 1 year ago

The problem is solved by creating a symbolic link in the /opt/conda/bin/ directory that points to the executable file in the /usr/bin/ directory. This can be done using the "ln" command with the "-s" option. In this case, for the pw.x

sudo ln -s /usr/bin/pw.x /opt/conda/bin/pw.x

This way mpirun will look into /opt/conda/bin/ for the executable, but it will find the symbolic link and then it will redirect to the actual executable in /usr/bin/