You are right Paulotto it is almost the same , But the scf calculation finished correctly and without any error message. In addition, in CP calculation we got the same error message Is it not related to rereading the .xml file from .save directory(this used to be one reason for iotk failing similarly to what I have found...)? if yes, How I can solve it?
----- Original Message ----- From: "Lorenzo Paulatto" <[email protected]> To: "PWSCF Forum" <pw_forum at pwscf.org> Sent: Wednesday, September 3, 2014 7:08:51 PM Subject: Re: [Pw_forum] regarding 'nscf' calculation On 09/03/2014 04:20 PM, fateme hooshmand wrote: > we have the same problem with nscf calculation in 16 processor parallel run > (in quantum espresso 5.0.1) > -the error message is This is not the same error as Kulwinder. Yours is likely caused by a corrupted or missing save file. kind regards -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Universit? Paris 6 +33 (0)1 44 275 084 / skype: paulatz http://www.impmc.upmc.fr/~paulatto/ 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 05 _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -- f.Houshmand Faculty of chemistry K.N.Toosi University of Technology
