BSE [ERROR]insufficient virtual memory

[WangFuyou]

Dear yambo developers,
I ran into some problems while doing BSE calculations. In my run file, I found the following error:
[ERROR] STOP signal received while in[04.01.01] Transition Groups build-up @q1
[ERROR]insufficient virtual memory
This error persisted after I tried to adjust the number of audits and nodes. I checked the node after submitting the task and determined that the memory usage was not full. I feel that it may have something to do with virtual memory, but I don't know how to solve it, and I hope to get your answer. And I added my input file, output file and submit script.

Yours,
WangFuyou

[Daniele Varsano]

Dear WangFuyou,

the problem is that you are including all the bands in the BSE kernel and this makes the calculation explodes.

Code: Select all

% BSEBands
    1 |  448 |                       # [BSK] Bands range
%

In general, BSE converge using few bands around the gap. You can start including very few bands (e.g 40-44) and then increase the band windows until convergence.

You can have a look here for a tutorial on BSE:
https://www.yambo-code.eu/wiki/index.ph ... step_guide

Best,
Daniele