Restarting this kind of code is always a bit tricky, because it requires
checking at any point that all output is consistent and has been
correctly written to disk. In my experience, it is so slow that it is
preferable to not do restart at all.
What I recommend, is learn (from the examples) how to split the
calculation over on atoms and q-points, which will allow you to run each
step without stopping, and potentially much faster if you run them at
the same time on different computing nodes.
cheers
On 9/7/20 10:04 AM, Mohad Abbasnejad wrote:
Hello QE users.
My running time cluster is 342000 seconds.
I want to use the max_seconds option in hp.x to resume my calculation
after the running time cluster is finished.
Is it enough to put only max_seconds=341000 in the input file and run it
with hp.x?
I used max_seconds=341000 in my input, but my job did not stop smoothly.
Could any one help me with this?
Best
Mohaddeseh
--
---------------------------------------------------------
Mohaddeseh Abbasnejad,
Assistant Professor of Physics,
Faculty of Physics,
Shahid Bahonar University of Kerman,
Kerman, Iran
P.O. Box 76169-133
Tel: +98 34 31322199
Fax: +98 34 33257434
Cellphone: +98 917 731 7514
E-Mail: [email protected]
<mailto:[email protected]>
Website: academicstaff.uk.ac.ir/moabbasnejad
<http://academicstaff.uk.ac.ir/moabbasnejad>
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