Empty Screening input file

[KinawyM]

Dear Daniele,

I have increased the number of computing nodes up to 4 nodes (with 96 cores) and tried different parallelization strategies as you suggested and always I get the same "Insufficient memory". I also recompiled yambo using "./configure FC=mpiifort F77=mpiifort --enable-mpi --enable-open-mp --enable-par-linalg --enable-debug-flags --enable-memory-profile" but yambo didn't state an estimate of the required memory in the LOG files. Any more suggestions, please?

Please find attached the input and output files.

Best regards,
Mohamed

[Daniele Varsano]

Dear Mohamed,

the correct syntax for the variables governing the parallelization is:

Code: Select all

BS_CPU= "8 6 2"                  # [PARALLEL] CPUs for each role
BS_ROLEs= "k eh t"

in your input, the roles were not specified, and the code get confused.

Next, what you can try to do is to use less mpi tasks per node, in this way each task will have more memory available.
Best,
Daniele

[KinawyM]

Dear Daniele,

Thank you so much for your support and time, and sorry for not replying sooner but I was trying your suggestion and many other trials from changing the number of assigned cores, nodes, cpus per node, and even recompiling Yambo with different editions of Intel compilers and it keeps crashing with and without errors. I will post the config.log and batch files on the compilation section to be more relevant than posting them here.

All the best,

Mohamed

[Daniele Varsano]

Dear Mohamed,
it seems your problem is related to a memory issue, so changing the compiler will not help.
You can add the flag --enable-memory-profile in the configure procedure and recompile, this should give you some information on the occupation of the memory
in the Log files and hopefully understand what resources you need to complete your calculation.
Best,
Daniele