Hi
I am running a BSE calculation (diagonalization solver) on a system with 721 irreducibble kpoints (3 valence and two conductions bands). I use yambo -S and initially the calculation proceeds well and writes the BS_Q1_00XXX_00XXX fragments in the SAVE directory. However, the calculation seems to crash when then number of subdirectories in the SAVE directory reaches 100000. I get
<---> [05.02] Main loop
<---> BSK | | [000%] --(E) --(X)
P01: [ERROR] STOP signal received while in :[05.02] Main loop
P01: [ERROR][NetCDF] No such file or directory
I think that not using the -S option will also give trouble. Is there a way group the fragments? Or is the problem related to something else?
BR
Thomas Olsen
Post Doc
Technical Unversity of Denmark
Poblem with large number of fragments in BSE calculation
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Re: Poblem with large number of fragments in BSE calculation
Hallo Thomas
Which version of the code are you using? Why are you speaking about subdirectories? This was the case for old versions of the code, in the more recent ones there is a file per each fragment. It was changed just because OS can handle a limited number of directories. If this is the case I would suggest to use a more recent version of the code.
Regards,
Myrta
Which version of the code are you using? Why are you speaking about subdirectories? This was the case for old versions of the code, in the more recent ones there is a file per each fragment. It was changed just because OS can handle a limited number of directories. If this is the case I would suggest to use a more recent version of the code.
Regards,
Myrta
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009
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- Posts: 25
- Joined: Thu Oct 28, 2010 9:45 am
Re: Poblem with large number of fragments in BSE calculation
Hi Myrta
I am using version 3.2.1 Revision 426. Is this version to old? The SAVE directory contains a lot of BS_Q1_00XXX_00XXX folders, each of which contaions a ndb.fragment file.
BR
Thomas
I am using version 3.2.1 Revision 426. Is this version to old? The SAVE directory contains a lot of BS_Q1_00XXX_00XXX folders, each of which contaions a ndb.fragment file.
BR
Thomas
- myrta gruning
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- Joined: Tue Mar 17, 2009 11:38 am
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Re: Poblem with large number of fragments in BSE calculation
Hallo Thomastolsen wrote:I am using version 3.2.1 Revision 426. Is this version to old? The SAVE directory contains a lot of BS_Q1_00XXX_00XXX folders, each of which contaions a ndb.fragment file
I am afraid it is for your purposes. I recall the system of creating a subdir for each fragment had to be changed just because it won't work on several operating systems when having too many fragments (=too many subdirs).
At present (3.2.3) each fragment corresponds to a file (I think this change was even introduced in 3.2.2.), and the problem you met should be solved.
As well there other adds and changes that may be interesting for you (see News on Yambo webpage)
Best,
Myrta
NB Please edit the signature in your profile so that your name and affiliation will appear at the end of each post. Thanks!
Dr Myrta Grüning
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009
School of Mathematics and Physics
Queen's University Belfast - Northern Ireland
http://www.researcherid.com/rid/B-1515-2009