Strange block size error

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Flex
Posts: 37
Joined: Fri Mar 25, 2016 4:21 pm

Strange block size error

Post by Flex » Tue Jul 26, 2016 10:05 am

I'm doing a BSE calculation of monolayer MoTe2 with quite big parameters. When it starts, I get a strange error I don't really understand

<08s> P0001: [05] Static Dielectric Matrix
P0001: [ERROR] STOP signal received while in :[05] Static Dielectric Matrix
P0001: [ERROR] n_t_CPU > n_blocks=M*(N+1)/2=0 with N=nkibz*n_eh_CPU and M=nkibz/n_k_CPU

I guess that some parameter is too big or too small but which one ?
Is it a problem with block size (too big ?). Or not enough RAM ?

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Thierry Clette
Student at Université Libre de Bruxelles, Belgium

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

Re: Strange block size error

Post by martinspenke » Tue Jul 26, 2016 11:31 am

maybe you first try on a lower number of procs to spot the problem and check different parallelization strategies.
If you use c and v variables you can reduce memory usage considerably.
Martin Spenke, PhD Student
Theoretisch-Physikalisches Institut
Universität Hamburg, Germany

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Daniele Varsano
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Re: Strange block size error

Post by Daniele Varsano » Mon Aug 08, 2016 11:35 am

Dear Thierry,
the problem is indeed due to the parallelization strategy you used.
My suggestion is to parallelize on k pooints as much as possible, next on transition, next on t. The parallelization on "eh" works in case you have not k points (gamma only calculation).

IN your case I would try something like:

Code: Select all

BS_CPU= "64 1 16"                   # [PARALLEL] CPUs for each role
BS_ROLEs= "k eh t" 
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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