Dear Daniele,
I runned the same calculation "yambo -o b" with yambo 4.2.4 and it finishes without a problem. But the problem is my installation of 4.2.4 is not parallel and I need parallel yambo. I installed yambo 4.3.1 with parallel successfully and it does the GW calculation without a problem but it returns segmentation error for optics calculation. I suspect something happened in the compilation. Do you have any idea? I compiled yambo 4.3.1. with ./configure FC=ifort F77=ifort
GW+BSE optics
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, Daniele Varsano
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Re: GW+BSE optics
Burak Ozdemir
Post-doc,
University of Nantes, France
Post-doc,
University of Nantes, France
- Daniele Varsano
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Re: GW+BSE optics
Dear Burak,
I cannot say anything with so few information. If you want, post your confg.log file and I will have a look.
By the way:
1. did you try to reduce your BSE bands.?
2. did you try to do an optic calculation from the tutorial?
Best,
Daniele
I cannot say anything with so few information. If you want, post your confg.log file and I will have a look.
By the way:
1. did you try to reduce your BSE bands.?
2. did you try to do an optic calculation from the tutorial?
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: 91
- Joined: Tue Sep 09, 2014 7:57 pm
Re: GW+BSE optics
I managed to install yambo 4.2.4 with parallel. I runned GW without a problem. However at BSE optics calculation the code stopped at Kernel loop. What could be the problem?
Best,
Burak
Best,
Burak
Burak Ozdemir
Post-doc,
University of Nantes, France
Post-doc,
University of Nantes, France
- Daniele Varsano
- Posts: 3835
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: GW+BSE optics
Dear Burak,
Daniele
1. did you try to reduce your BSE bands.?
2. did you try to do an optic calculation from the tutorial?
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/
-
- Posts: 91
- Joined: Tue Sep 09, 2014 7:57 pm
Re: GW+BSE optics
Dear Daniele,
I reduced the BSE bands and it worked now. Thank you! But what happens if I need more BSE bands and the code is stopping? What can I do then?
Best,
Burak
I reduced the BSE bands and it worked now. Thank you! But what happens if I need more BSE bands and the code is stopping? What can I do then?
Best,
Burak
Burak Ozdemir
Post-doc,
University of Nantes, France
Post-doc,
University of Nantes, France
- Daniele Varsano
- Posts: 3835
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: GW+BSE optics
Dear Burak,
usually the needed BSE bands are not many, in any case you can use a parallelization strategy aimed to distributed the memory among progessor.
This is achieved by setting:
PAR_def_mode= "memory"
Best,
Daniele
usually the needed BSE bands are not many, in any case you can use a parallelization strategy aimed to distributed the memory among progessor.
This is achieved by setting:
PAR_def_mode= "memory"
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/