[Pw_forum] PW.X WORKS ONCE AND NEXT TIME DOESN'T.. FOR THE SAME INPUT FILE..

siddheshwar chopra sidhusai at gmail.com
Tue Jul 15 07:30:39 CEST 2014


Dear Dr. Giovanni Pizzi,
I re ran the i/p file.. i corrected the ecutrho value. But unfortunately
the same error persists. Please find attached the i/p, o/p and crash files.
I have tried running it from a script and also directly from terminal using
"mpirun -n 3 pw.x -i graphene.scf20.in" .

Regards,


On Mon, Jul 14, 2014 at 9:39 PM, Giovanni Pizzi <giovanni.pizzi at epfl.ch>
wrote:

>  Dear Siddheshwar,
> it is quite improbable that this error did not occur in your first run.
> You must have changed something between the two runs (and probably
> forgotten about it).
>
> In any case, in the input file you wrote 'ecutrho=' but did not specify
> any value. This for sure is (one of the possible) causes of the error.
>
> Best,
> Giovanni
>
>
>
> On 07/14/2014 02:01 PM, siddheshwar chopra wrote:
>
>   Dear Users,
>  I ran the pw.x successfully using 4 processors. But again when I am
> running the same i/p file, I am getting this error:
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine  read_namelists (5010):
>       reading namelist system
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>      stopping ...
>
>
> ===================================================================================
> =   BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
> =   EXIT CODE: 1
> =   CLEANING UP REMAINING PROCESSES
> =   YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
>
> ===================================================================================
>
>  Please tell me how to resolve this issue.
>
>  Regards,
>
> --
>  *Dr. Siddheshwar chopra,*
>
>
> *M.Sc., Ph.D (Physics) Assistant Professor (Physics), *
> *Amity University, Noida, India.*
>
>
>
> _______________________________________________
> Pw_forum mailing listPw_forum at pwscf.orghttp://pwscf.org/mailman/listinfo/pw_forum
>
>
>
> --
> Giovanni Pizzi
> Post-doctoral Research Scientist
> EPFL STI IMX THEOS
> MXC 340 (Bâtiment MXC)
> Station 12
> CH-1015 Lausanne (Switzerland)
> Phone: +41 21 69 31124
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>



-- 
*Dr. Siddheshwar chopra,*


*M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
*Amity University, Noida, India.*
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