Problem reading em1s in BSE calculation

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Problem reading em1s in BSE calculation

Postby claudio » Mon Mar 05, 2018 7:17 pm

Dear all

I'm trying to calculate BSE without GW using the static dielectric constant em1s. (using Yambo 4.2.1)

My problem is that after I calculated it, yambo refuses to read it with the error:

<44s> P0001: [05.04.01] Screened interaction header I/O
P0001: [ERROR] STOP signal received while in :[05.04.01] Screened interaction header I/O
P0001: [ERROR] File ./SAVE//ndb.em1s; Variable HEAD_VERSION; NetCDF: Variable not found

I send you my input file, just a normal BSE with the calculation of em1s.

I notice that this appens only if I use the parallelization on q-point in the dielectric constant

best
Claudio
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Claudio Attaccalite
Institut Neel, CNRS/UJF ABINEEL group
25 rue des Martyrs BP 166, B√Ętiment D
38042 Grenoble cedex 9 France
web site: http://www.attaccalite.com
Freely download scientific books from: http://www.freescience.info
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Re: Problem reading em1s in BSE calculation

Postby Davide Sangalli » Mon Mar 19, 2018 11:18 am

Ciao Claudio,
does it happen only with 12 CPUs on q or also with less ?

D.
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
http://www.ism.cnr.it/en/davide-sangalli-cv/
http://www.max-centre.eu/
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Re: Problem reading em1s in BSE calculation

Postby claudio » Sat Mar 31, 2018 10:23 am

Dear Davide

probably it was my fault, I cannot reproduce this bug.
If it will appear again on some machine, I will try to save the configuration immediately.

best
Claudio
Claudio Attaccalite
Institut Neel, CNRS/UJF ABINEEL group
25 rue des Martyrs BP 166, B√Ętiment D
38042 Grenoble cedex 9 France
web site: http://www.attaccalite.com
Freely download scientific books from: http://www.freescience.info
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claudio
 
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Joined: Tue Mar 31, 2009 11:33 pm


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