Dear Daniele,
Thanks for your help!
After I recompile yambo on a different machine, the problem was fixed.
Best,
Jason
How to disable HDF5 in yambo5 configuration
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
- jasonhan0710
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- Location: China
Re: How to disable HDF5 in yambo5 configuration
Jason Han
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China
- Daniele Varsano
- Posts: 3816
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: How to disable HDF5 in yambo5 configuration
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
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
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/
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- Posts: 206
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Re: How to disable HDF5 in yambo5 configuration
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
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
Andrea Ferretti, PhD
CNR-NANO-S3 and MaX Centre
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322; Skype: andrea_ferretti
URL: http://www.nano.cnr.it
CNR-NANO-S3 and MaX Centre
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322; Skype: andrea_ferretti
URL: http://www.nano.cnr.it
- jasonhan0710
- Posts: 58
- Joined: Wed Dec 23, 2020 6:48 am
- Location: China
Re: How to disable HDF5 in yambo5 configuration
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
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
Jason Han
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China
- jasonhan0710
- Posts: 58
- Joined: Wed Dec 23, 2020 6:48 am
- Location: China
Re: How to disable HDF5 in yambo5 configuration
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
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
Jason Han
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China
Assistant Professor
Department of Physics
National University of Defense Technology
Hunan, China