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Re: How to disable HDF5 in yambo5 configuration
Posted: Sat Nov 27, 2021 4:17 am
by jasonhan0710
Dear Daniele,
Thanks for your help!
After I recompile yambo on a different machine, the problem was fixed.
Best,
Jason
Re: How to disable HDF5 in yambo5 configuration
Posted: Sat Nov 27, 2021 8:58 am
by Daniele Varsano
Dear Jason,
good to know. It is clear that there was a problem with the compilation in that machine environment, but it is not clear what exactly triggered the issue.
Best,
Daniele
Re: How to disable HDF5 in yambo5 configuration
Posted: Sat Nov 27, 2021 11:04 am
by andrea.ferretti
Dear Jason,
I also don't see any clear problem in your setup.
As a word of caution:
* in the past we have see problems (code miscompilation) using Intel 2019 compilers (especially early versions).
* For instance, currently I am using 2019.1.0.166 and it works
* Nevertheless, in your case I would at least try with a different compiler to see if the problem is still there or not.
Do you have access to any newer version of the intel compiler or to any installation of gfortran (7.x, 9.x, 10.x) ?
Andrea
Re: How to disable HDF5 in yambo5 configuration
Posted: Sat Dec 04, 2021 11:09 am
by jasonhan0710
Dear Andrea,
Thank you!
I will try to use another version of gfortran and Intel compilers to recompile the code. Hope to solve this problem soon
Best,
Jason
Re: How to disable HDF5 in yambo5 configuration
Posted: Mon Dec 06, 2021 7:58 am
by jasonhan0710
Dear Daniele and Andrea,
Thank you for your advice. After gcc and gfortran updated form 4.5 to 7.2, the "NaN" disappeared in GW calculation. Maybe yambo-5.0 doesn't work well with the old version of gfortran.
Best,
Jason