[Pw_forum] regarding 'nscf' calculation
fhooshmand at mail.kntu.ac.ir
Wed Sep 3 17:14:53 CEST 2014
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" <lorenzo.paulatto at impmc.upmc.fr>
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.
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05
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