run yambo

Run-time issues concerning Yambo that are not covered in the above forums.

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run yambo

Postby samaneh » Sat May 31, 2014 8:23 pm

Hi there,
I have some questions;
1- Is there any possibility to use npool option of mpirun with yambo code?
2- Is there any possibility to estimate runtime or memory needed to run yambo with 1 process (1 core)
for a system including for example 12 atoms in unit cell??
Thanks
S. Ataei, PhD student of Condensed Matter Physics, University of Tehran, Iran
S. Ataei, PhD student at University of Tehran, Iran.
samaneh
 
Posts: 165
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Re: run yambo

Postby Daniele Varsano » Sat May 31, 2014 8:47 pm

Dear samaneh
1) yes yambo is parallel provided that you compile in parallel environment
2) in the standard output you have an estimated timing and memory usage for each runlevel.

Best
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/
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Daniele Varsano
 
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Re: run yambo

Postby samaneh » Sun Jun 01, 2014 5:56 am

Dear Daniele,
Thanks a lot
but I want to know how can I use npool option (what is the command line with using mpirun -np .. yambo)??
2- yes I know but I want to know if I did not have any output, is it possible to estimate the computational runtime or memory needed???
since I run yambo for tio2 structure with 1 core and 32Gb memory and also with 4 cores and 8Gb memory/core but it didn't run!!!!
I've attached the needed files.
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S. Ataei, PhD student at University of Tehran, Iran.
samaneh
 
Posts: 165
Joined: Tue Jan 21, 2014 9:03 am


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