problems in GPL Version 3.2.1 Revision 387

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problems in GPL Version 3.2.1 Revision 387

Postby 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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Re: problems in GPL Version 3.2.1 Revision 387

Postby 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)


Dr Myrta GrĂ¼ning
Atomistic Simulation Centre
Queen's University Belfast - Northern Ireland
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myrta gruning
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Re: problems in GPL Version 3.2.1 Revision 387

Postby 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

Istituto di Struttura della Materia, CNR, (Italy)
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