WFbuffIO

Various technical topics such as parallelism and efficiency, netCDF problems, the Yambo code structure itself, are posted here.

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Re: WFbuffIO

Postby robwarm » Tue Jul 07, 2015 2:27 pm

Dear Daniele,

sorry for that. I was busy doing some repeated tests.
The still get netCDF errors (sometimes) when using an executable compiled with intel compilers. See attachment.
With gcc compiler and 12 cores the report file shows the same error as the intel one, but seems to run just fine with 8 cores.

Best Robert
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Dr Robert Warmbier
Materials for Energy Research Group
School of Physics
University of the Witwatersrand, Johannesburg
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Re: WFbuffIO

Postby Daniele Varsano » Tue Jul 07, 2015 2:33 pm

Dear Robert,
yes, I think that netcdf and yambo need to be compiled with the same compiler.
Anyway, glad you succeed to run.
Off Topic in your input file:
Code: Select all
NGsBlkXp= 1            RL 

please note that you are considering a scalar dielectric matrix, this is a parameter that has to be bought at convergences.
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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