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

[siddheshwar chopra]

Dear Sir,
The problem is resolved. The problem was with my script.. In the script I
had used  "ecutrho=$ecut*8"

It should be $ecutrho=$ecut*8

Thanks for pointing out my mistake.

Regards,


On Tue, Jul 15, 2014 at 1:15 PM, siddheshwar chopra <sidhusai at gmail.com>
wrote:

> Dear Sir,
> Yes I too had the same doubt that ecutrho syntax must be a problem. Thanks
> for the help Sir.
> Actually I am using a script file to run for different "ecutrho" values.
>
> ecutrho=$ecut*8;
> and then ecutrho=$ecutrho  inside &system
>
> Could you tell me what wrong I am doing here?
>
> Regards,
>
>
> On Tue, Jul 15, 2014 at 11:47 AM, Paolo Giannozzi <
> paolo.giannozzi at uniud.it> wrote:
>
>> Syntax "ecutrho=8*20" is not allowed in a namelist
>>
>> P.
>>
>> On Tue, 2014-07-15 at 11:00 +0530, siddheshwar chopra wrote:
>> > 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 list
>> >         > Pw_forum at pwscf.org
>> >         > http://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.
>> >
>> >
>> > _______________________________________________
>> > Pw_forum mailing list
>> > Pw_forum at pwscf.org
>> > http://pwscf.org/mailman/listinfo/pw_forum
>>
>>
>> _______________________________________________
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>> Pw_forum at pwscf.org
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>>
>
>
>
> --
> *Dr. Siddheshwar chopra,*
>
>
> *M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
> *Amity University, Noida, India.*
>
>


-- 
*Dr. Siddheshwar chopra,*


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