running yambo in parllel

Concerns any physical issues arising during the setup step (-i option). This includes problems with symmetries, k/q-point sets, and so on. For technical problems (running in parallel, etc), refer to the Technical forum.

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marsusi
Posts: 24
Joined: Thu May 03, 2012 1:19 pm

running yambo in parllel

Post by marsusi » Mon May 07, 2012 2:23 pm

Dear all,

I am yambo biginner user and have set up yambo successfully, so dll ./bin/yambo recognizes mpi libraries, but system process shows that only one of cpus is working during yambo executing of first example of quick user guide of yambo. Is there anything wrong with the configuration?

Thanks in advance,

Farah Marsusi,
Department of physics,
Amirkabir university of technology,
Tehran, Iran.

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Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
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Re: running yambo in parllel

Post by Daniele Varsano » Mon May 07, 2012 2:37 pm

Dear Farah,
in order to understand your problem, please post your config.log file and
the command you use when running yambo.

Cheers,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

marsusi
Posts: 24
Joined: Thu May 03, 2012 1:19 pm

Re: running yambo in parallel

Post by marsusi » Mon May 07, 2012 3:31 pm

Dear Daniele,

Nor mpirun ../bin/yambo, neither mpiexe ../bin/yambo did work in parralel. You can also see the attached config.log file. I hope it would be attached correctly.

Thank you very much.

Farah Marsusi.
Department of physics,
Amirkabir University of Technology,
Tehran, Iran.
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Daniele Varsano
Posts: 3816
Joined: Tue Mar 17, 2009 2:23 pm
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Re: running yambo in parllel

Post by Daniele Varsano » Mon May 07, 2012 4:33 pm

Dear Farah,
after executing the configure command, please check if the MPI box is checked with a cross,
as well the netcdf and the other feature you want to be working.
If it is correctly checked, you should ask to the administrator of the machine how to
run a parallel code properly.

Let us know,

Cheers,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

marsusi
Posts: 24
Joined: Thu May 03, 2012 1:19 pm

Re: running yambo in parallel

Post by marsusi » Tue May 08, 2012 4:44 am

Dear Daniele,

It needs to specify how many cores would be employed with mpirun -np x. It works now.

Best regards,

Farah.

Farah Marsusi.
Department of physics,
Amirkabir University of Technology,
Tehran, Iran.

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