ndb.elph_gkkp database error

You can find here problems arising when using old releases of Yambo (< 5.0). Issues as parallelization strategy, performance issues and other technical aspects.

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martinspenke
Posts: 149
Joined: Tue Apr 08, 2014 6:05 am

Re: ndb.elph_gkkp database error

Post by martinspenke » Sun Dec 18, 2016 3:24 pm

Dear Alejandro,

attached the r_setup file.

martin
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Martin Spenke, PhD Student
Theoretisch-Physikalisches Institut
Universität Hamburg, Germany

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amolina
Posts: 135
Joined: Fri Jul 15, 2011 11:23 am
Location: Valencia, Spain
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Re: ndb.elph_gkkp database error

Post by amolina » Sun Dec 18, 2016 3:36 pm

Dear Martin,
yes, you can do in two ways. Either you put s.db files at the setup or you put them later. I have checked the setup and they seems very similar... Maybe is the yambo version. Can you install the latest yambo stable version?
Alejandro.
Alejandro Molina-Sánchez
Institute of Materials Science (ICMUV)
University of Valencia, Spain

martinspenke
Posts: 149
Joined: Tue Apr 08, 2014 6:05 am

Re: ndb.elph_gkkp database error

Post by martinspenke » Sun Dec 18, 2016 3:43 pm

Dear Alejandro,

Last night i also checked it with yambo 3.4.2 rev.5108, but got exactly the same error.
Any way yambo 3.4.2 is for me out, because it is coupled to netcdf library imposing some hard limits on the generated files (but this is another issue i raised in my other posts).

Regarding basis vectors in dyn files, it seems to be a problem of the new QE version, as in QE_5.3.0 i did not need to edit those lines and was able to successfully proceed further.

Martin
Martin Spenke, PhD Student
Theoretisch-Physikalisches Institut
Universität Hamburg, Germany

martinspenke
Posts: 149
Joined: Tue Apr 08, 2014 6:05 am

Re: ndb.elph_gkkp database error

Post by martinspenke » Mon Dec 26, 2016 11:19 pm

Dear Alejandro,

I solved the problem by simply switching from O3 to O2 optimization while compiling the code,
and was able to successfully generate the gkkp databases.

Many thanks for your kind helps.

Best wishes
Martin
Martin Spenke, PhD Student
Theoretisch-Physikalisches Institut
Universität Hamburg, Germany

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