You just need to set ecutrho = 160. I can run your input with this correction smoothly on my machine. On Tue, 15 Jul 2014 11:00:39 +0530, siddheshwar chopra <sidhusai at gmail.com> 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 >> listPw_forum at pwscf.orghttp://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 >>
-- PostDoc Department of Physics, South University of Science and Technology of China
