problems in GPL Version 3.2.1 Revision 387

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xixi
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Joined: Tue Mar 24, 2009 1:08 pm

problems in GPL Version 3.2.1 Revision 387

Post by xixi » Wed Apr 08, 2009 3:57 am

Dear users and developers;
I have tested the new V387, and tested a CNT (8,0) case,
after I got the KSS file and want to go on the GW calculation, the last line of r_xxvxc_ppa_gw0 told me

- S/N 007676 ---------------------------- v.03.02.01 r.387 -

[ERROR] STOP signal received while in :[06] EX(change)S(elf-energy) and Vxc potential

[ERROR][NetCDF] NetCDF: Variable not found


but the netcdf is included in the compilation, could you give any suggestions? Thanks!

below is the input files



Xi Zhu
School of Materials Science And Engineering,
Nanyang Technological University,
Blk N4.1, Nanyang Avenue, Singapore 639798
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myrta gruning
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Re: problems in GPL Version 3.2.1 Revision 387

Post by myrta gruning » Wed Apr 08, 2009 6:56 am

Hallo Xi Zhu,

I think that the installation of netcdf is OK, and I would say that the behavior you observe is due to the limitation of netcdf with large files.
In fact I had a similar strange behavior of netcdf when treating large systems => large databases (that is larger than 2Gb). I do not know if this may be your case (from your input I would say your databases should be quite big) but what can help you is to use the database fragmentation option, that is adding -S when you call yambo for execution (yambo -H for more details)

Cheers,

m
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland

http://www.researcherid.com/rid/B-1515-2009

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andrea marini
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Re: problems in GPL Version 3.2.1 Revision 387

Post by andrea marini » Wed Apr 08, 2009 8:27 am

It seems strange to me to have an exchange self-energy database larger the 2Gb. xixi please post the following informations
  1. the result of the command >yambo -D
  2. Your latest log file (l_*)
  3. a list of all the files in your working directory
use tha attachments to upload the files. Simple zip all of them or add the extension .txt

Andrea
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)

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