Output file appears empty with BSE-Haydock solver

[Zafer Kandemir]

Dear Developers,

I use BSE-Haydock solver. The output file appears empty. I can't figure out why.

Attached are the input, output and report files.

Best regards.

Zafer

[Daniele Varsano]

Dear Zafer,

the spectrum has been not calculated as yambo stops in the haydock procedure for some reason which is not clear.,
perhaps do you have any error message in the running script output?
Any error message at the end of the other log files?
This could help to spot the problem.

I can see you are trying to diagonalize a previously calculated BSE matrix, did the build of the matrix in the previous run completed successfully?

You can try to recalculate the BSE matrix and diagonalize it in the same run. If you recompile the code using the option --enable-memory-profile in the configure step, this could help to see if it is a memory problem.

Best,
Daniele

[Zafer Kandemir]

Dear Daniele,

Thank you for your answer.
There was a bad termination error in the slurm-job-id.out file.

Code: Select all

:: initializing oneAPI environment ...
   slurm_script: BASH_VERSION = 5.1.8(1)-release
   args: Using "$@" for setvars.sh arguments:
:: advisor -- latest
:: ccl -- latest
:: clck -- latest
:: compiler -- latest
:: dal -- latest
:: debugger -- latest
:: dev-utilities -- latest
:: dnnl -- latest
:: dpcpp-ct -- latest
:: dpl -- latest
:: inspector -- latest
:: ipp -- latest
:: ippcp -- latest
:: ipp -- latest
:: itac -- latest
:: mkl -- latest
:: mpi -- latest
:: tbb -- latest
:: vpl -- latest
:: vtune -- latest
:: oneAPI environment initialized ::

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 33 PID 1687392 RUNNING AT orfoz419
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 34 PID 1687393 RUNNING AT orfoz419
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================

===================================================================================
=   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
=   RANK 35 PID 1687394 RUNNING AT orfoz419
=   KILLED BY SIGNAL: 9 (Killed)
===================================================================================
...
I_MPI_JOB_TIMEOUT = -1 second(s): job ending due to startup timeout

This was happening when it was caused by memory. I will change the input parameters and cpu roles and start the calculation again.

Best regards,
Zafer