[Pw_forum] Qe-6.1 giving different energy values on different PCs

Lorenzo Paulatto lorenzo.paulatto at impmc.upmc.fr
Sun Jul 30 18:03:17 CEST 2017

Dear Rajesh,
if you want to have a meaningful answer you need to provide some useful
information. At the very least, the full output in all the different cases.

Kind regards

Lorenzo Paulatto
Written on a virtual keyboard with real fingers

On Jul 30, 2017 05:11, "Rajesh" <creativeidleminds at gmail.com> wrote:

Dear Users
I ran same input script (vc-relax) on different PCs on different number of
processors (24 and 70). But energy values I am getting are different. On 24
cpus its higher than with 70 cpus. On 70 cpus number of cycles a simulation
runs are higher than that of 24 cpus. At the end of output (24 cpus PC) I
get Job done. Is it really the job is completed? WHy this is happening? Is
the job finished prematurely?

Thank you.


Pw_forum mailing list
Pw_forum at pwscf.org
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170730/cf7d9a4a/attachment.html>

More information about the users mailing list