Polaron self-consistent process fails

[chifuyu]

Hi everyone,

I am trying to work my way through the LiF polaron example. Everything works just fine until the code starts the self-consistent process. At this point, the code crashes and I can find in the slurm output repeatedly "epw.x:489634 terminated with signal 11 at PC=4bb203 SP=7fffffff0d80.". As far as I understand, this points to a segmentation fault?

I attach all output files for reference.

Has anyone ever encountered a similar problem?

Cheers
Michael Winter

[jlb]

Hi Michael,

At the end of your slurm file I see that the number of requested CPUs is 192. In this example the k/q-grid is 4x4x4 so you can parallelize over 64 pools at most. Could you try reducing the number of CPUs / pools and see if the problem persists?

Best,
Jon Lafuente-Bartolome