Dear Zhou,
your script seems to me to be correct.
Can you try to reduce the number of bands just as a test to be sure the problem is related to memory?
Best,
Daniele
stuck in caluclation of static inverse dielectric matrix
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- Daniele Varsano
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Re: stuck in caluclation of static inverse dielectric matrix
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: 85
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Re: stuck in caluclation of static inverse dielectric matrix
Dear DanieleDaniele Varsano wrote:Dear Zhou,
your script seems to me to be correct.
Can you try to reduce the number of bands just as a test to be sure the problem is related to memory?
Best,
Daniele
I would like to share my experimence:
I have fixed this issue. It is actually the issue of memory. In my submission script, I am launching intel's mpirun . But the mpirun is not able to pick up the options I set with #SBATCH. I switched to srun as "srun -n 192 yambo -F ..." and found that I could use more large memory per core in this way.
Thanks
Dr. Zhou Liu-Jiang
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
Fujian Institute of Research on the Structure of Matter
Chinese Academy of Sciences
Fuzhou, Fujian, 350002
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: stuck in caluclation of static inverse dielectric matrix
Dear Zhou,
I'm glad to know the problem is solved.
Best,
Daniele
I'm glad to know the problem is solved.
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/