Allocation attempt of negative size

You can post here problems arising when using Yambo running on GPU machines. Issues as compilation, submission scripting, performance and other technical aspects realted to the GPU support

Moderators: Davide Sangalli, Daniele Varsano, andrea.ferretti, andrea marini, Conor Hogan, myrta gruning

Post Reply
Lorenzo Bastonero
Posts: 1
Joined: Sun Oct 25, 2020 10:16 am

Allocation attempt of negative size

Post by Lorenzo Bastonero » Sun Oct 25, 2020 11:01 am

Dear all,

I am currently running Yambo on Marconi 100. When calculating the GW corrections, the calculation stops with this error message:

P1-r220n19: [ERROR] STOP signal received while in[07] Dynamic Dielectric Matrix (PPA)
P1-r220n19: [ERROR]Allocation attempt of WF%c of negative size.

The calculation is being done for an interface with PPA, 20ry and 3000 bands for X, 1500 Gbnds with terminator BG. When I was running convergence tests and calculating the corrections for two point I got no issues.

Do you have any suggestions on how resolve the problem?

Thanks for your precious time.

Kind regards,

Lorenzo

User avatar
Daniele Varsano
Posts: 2515
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Allocation attempt of negative size

Post by Daniele Varsano » Mon Nov 09, 2020 1:31 pm

Dear Lorenzo,
please sign your posts with your affiliation, this is a rule of the forum and you can do once for all by filling your signature in the user profile.
It seems you are running out of memory. If you post your input/report and log we can have a look and see if that can be overcome by carefully setting the parallelization strategy or other settings.

Please note that the terminator BG is not ported on GPU for the G, but still running on CPU, while it is possible it is broken for the X.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

Post Reply