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 (B?timent 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 > > > _______________________________________________ > 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.* -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140715/c22bb781/attachment.html