The only reason I can think of that may explain the observed behavior, other than the usual one reported at the end of this page: http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node19.html is a memory leak, either in the code or in libraries. You still haven't answered a quite precise question: is it happening only with DFT+U and electric fields, or also with one of the two, or none of the two?
By the way, you should try a newer version, rather than an older one P. On Thu, 2015-01-08 at 22:58 +0530, Pallavi Bothra wrote: > Dear all, > > One more thing, I am even trying with 4 layers slab > (contains 24 atoms) instead of previous 8 layered one (contains 56 > atoms) and also have considered all the available pseudopotentials but > nothing helps. > > Input file for 4 layers is attached. > > Please if someone has any clue, help. > > > Regards > > Pallavi > > > On Thu, Jan 8, 2015 at 10:40 PM, Pallavi Bothra > <[email protected]> wrote: > Dear all, > > I got the similar problem posted in forum > previously also > (http://qe-forge.org/pipermail/pw_forum/2014-September/105267.html). > > But I did not find any clue from this. > > > Thanks a lot > > > Regards > > Pallavi > > > On Thu, Jan 8, 2015 at 8:27 PM, Pallavi Bothra > <[email protected]> wrote: > Dear all, > > I am trying to run DFT+U calculation on > Co3O4 using 5.0.2 version (Input and out files are > attached). > > I tried with different machines, different processors > (16, 32, 64, 128), but the error is quite consistent. > One more thing which I did not mention in my last > mail, the job ran for 44 iterations finely (so I guess > there is no error in input file). Please see the > output file. > > Even I tried with 4.3.2 version but no luck. > > I will be really grateful if someone tells me whether > this is compilation error or anything else. > > > Thanks in advance > > > Regards > > Pallavi > > > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
