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BSE without normal stop
Posted: Thu May 15, 2014 2:08 pm
by Sheleon
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
Re: BSE without normal stop
Posted: Thu May 15, 2014 2:17 pm
by Daniele Varsano
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
Re: BSE without normal stop
Posted: Thu May 15, 2014 4:13 pm
by Sheleon
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