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
WFbuffIO
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robwarm
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Re: WFbuffIO
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Dr Robert Warmbier
Materials for Energy Research Group
School of Physics
University of the Witwatersrand, Johannesburg
Materials for Energy Research Group
School of Physics
University of the Witwatersrand, Johannesburg
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Daniele Varsano
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Re: WFbuffIO
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:
please note that you are considering a scalar dielectric matrix, this is a parameter that has to be bought at convergences.
Best,
Daniele
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 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/
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/