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
Problem reading em1s in BSE calculation
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- claudio
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Problem reading em1s in BSE calculation
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Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
- Davide Sangalli
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Re: Problem reading em1s in BSE calculation
Ciao Claudio,
does it happen only with 12 CPUs on q or also with less ?
D.
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
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
- claudio
- Posts: 534
- Joined: Tue Mar 31, 2009 11:33 pm
- Location: Marseille
- Contact:
Re: Problem reading em1s in BSE calculation
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
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
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com