Hi, everyone
When i try to calculate the BSE type calculation, all the calculations seem done well (o.eps and o.eel are proper generated) but the job is still running with only cpu used. What is the problem?
Here is my report file
Thanks in advance.
Sheleon
BSE without normal stop
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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Sheleon
- Posts: 28
- Joined: Tue Jun 12, 2012 9:02 am
BSE without normal stop
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Phd student
Phys Department
Shanghai JiaoTong university, Shanghai, China.
Phys Department
Shanghai JiaoTong university, Shanghai, China.
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Daniele Varsano
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- Joined: Tue Mar 17, 2009 2:23 pm
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Re: BSE without normal stop
Dear Sheleon,
hard to say, anyway from the report I can see, that you restarted a calculation of the solver having changed the parameter of the BSE (you can see the *ERR* labels in the report).
This should not be a problem as I think yambo discard that restart and starts from te beginning with the new Hamiltonian.
Anyway the run does not look to have finished, please look in the output the accuracy you reached, if it is the converged one.
It is also possible that is the problem of the machine that one processor for external reason did not succeed to finalize, but hard to say.
Best,
Daniele
hard to say, anyway from the report I can see, that you restarted a calculation of the solver having changed the parameter of the BSE (you can see the *ERR* labels in the report).
This should not be a problem as I think yambo discard that restart and starts from te beginning with the new Hamiltonian.
Anyway the run does not look to have finished, please look in the output the accuracy you reached, if it is the converged one.
It is also possible that is the problem of the machine that one processor for external reason did not succeed to finalize, but hard to say.
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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Sheleon
- Posts: 28
- Joined: Tue Jun 12, 2012 9:02 am
Re: BSE without normal stop
Dear Daniele,
Thanks for the quick reply.
For the log file, it is a little bit strange. As the report file said the accuracy requested is reached after 94 interation, but in the log file it only print 93 iterations. It seem the 94 iteration did not finish in the log file.
Sheleon
Thanks for the quick reply.
For the log file, it is a little bit strange. As the report file said the accuracy requested is reached after 94 interation, but in the log file it only print 93 iterations. It seem the 94 iteration did not finish in the log file.
Sheleon
You do not have the required permissions to view the files attached to this post.
Phd student
Phys Department
Shanghai JiaoTong university, Shanghai, China.
Phys Department
Shanghai JiaoTong university, Shanghai, China.