Errors in BSE calculations with truncated coulomb potential

[Guo_BIT]

Dear developers, I get this error-message when I try to run Bethe-Salpeter equation calculation with the Coulomb cutoff technique

Code: Select all

 <50s> P100-n42: [04.01.04.01] Screened interaction header I/O
P100-n42: [ERROR] STOP signal received while in[04.01.04.01] Screened interaction header I/O
P100-n42: [ERROR] Reading File ./2D_MOD_BSE//ndb.pp_fragment_1; Variable X_Q_1; NetCDF: Start+count exceeds dimension bound

I tried to change PAR_def_mode, node(N) or number of CPUs, but they are not useful . I have added all the relevant files to the attachment

Thanks in advance for your help.

[Daniele Varsano]

Dear Jingda,

it seems an I/O error, and I do not think it is related to the use of the truncated coulomb potential.
Not easy to understand what's going wrong. What you can try is to remove the ndb.pp* files and recalculate the screening in the same run of BSE.
To save time, you can calculated just the static screening (em1s).

Best,
Daniele

[Guo_BIT]

Dear Daniele,

thank you for your reply. I have deleted ndb.pp* files, and there are currently no errors reported for the my screening calculation . Thank you very much.