A hard crash after 7 days seems to me the proper punishment for launching a NEB calculation with an initial barrier of 5600 eV. By the way: are you sure that a path length > 100 a.u. is what you want?
Paolo On Fri, Sep 23, 2016 at 7:14 PM, Francesco Pelizza < [email protected]> wrote: > The interruption occurs at the 7th day, I can't say if exactly at 168 > hours or around, but not with a discrepancies of 2-3 days so far. > > > I use mpirun on 8 or 12 threads depending on the machine and I leave NEB > to default internal settings > Attached input file and first output as it came with the interruption. > > the command is normally: > ""mpirun -np 8 neb.x -inp input_file.in >output_file.out"" > > So potentially it could be just and hardware fail? sounds reasonable, the > only strange thing is that I have the crash in a week and not casually, but > I appreciate the information you gave me > > Thank you > > > > > On 23/09/16 17:57, Paolo Giannozzi wrote: > > On Fri, Sep 23, 2016 at 5:48 PM, Francesco Pelizza < > [email protected]> wrote: > > >> After 7 days, neb.x stops to work, no closing/cleaning comments, >> > nothing else, just it stops to work. >> > > reproducibly, for all jobs, after exactly 7 days and never 9 or 4? under > which conditions? serial, parallel, with image parallelization, ... ? > > A parallel code may hang if any two processes that should go in parallel > for some reason don't. This may be caused by subtle buildups of numerical > differences, coupled to replicated checks; or by a process dying for > whatever reason. > > Paolo > > >> >> I happens with several systems, is not a problem of convergence of a >> determined image or anything else, the output file is just >> interrupted/truncated. >> > >> I can anyway easily restart the job, its not the issue of loosing CPU >> time, but when you queue for HPC it becomes a problem. >> >> >> Anyway, Somebody encountered that problem? Is a known problem? >> >> Some feedback? >> >> >> Thank you >> >> >> Francesco Pelizza >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > _______________________________________________ > Pw_forum mailing > [email protected]http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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