Problem is solved now. I just replaced all zeros by 0.0 and it worked fine. Thanks for replies.
On Fri, Aug 31, 2018, 12:48 AM Paolo Giannozzi <p.gianno...@gmail.com> wrote: > There is nothing wrong in the parser of the old version, as far as I know, > but there might be a compilation problem, or a mismatch between C and > fortran, affecting it. I have never ever seen such problem. > > On Thu, Aug 30, 2018 at 8:08 PM, Asad Mahmood <amahm...@phys.qau.edu.pk> > wrote: > >> Thanks for the reply. I tried "mpirun -np 8 pw.x -in relax.in" but still >> the same error. >> Another thing I would like to add that when I run this calculation in my >> laptop's QE (v 6.2) then it worked fine. It means it has something to do >> with the version. Is it ? >> >> On Thu, Aug 30, 2018 at 10:58 PM, Paolo Giannozzi <p.gianno...@gmail.com> >> wrote: >> >>> There is no error in your data, but "reading input from standard data" >>> suggests that you are doing something like "pw.x < input_file". Try "pw.x >>> -in input_file" instead. >>> >>> Paolo >>> >>> On Thu, Aug 30, 2018 at 7:48 PM, Asad Mahmood <amahm...@phys.qau.edu.pk> >>> wrote: >>> >>>> Hi there, >>>> >>>> I am trying to perform a 'relax' calculation for a supercell containing >>>> 16 atoms. I checked it carefully. The error appears in output file : >>>> >>>> Program PWSCF v.5.2.0 starts on 30Aug2018 at 22:15:48 >>>> >>>> This program is part of the open-source Quantum ESPRESSO suite >>>> for quantum simulation of materials; please cite >>>> "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 >>>> (2009); >>>> URL http://www.quantum-espresso.org", >>>> in publications or presentations arising from this work. More >>>> details at >>>> http://www.quantum-espresso.org/quote >>>> >>>> Parallel version (MPI), running on 16 processors >>>> R & G space division: proc/nbgrp/npool/nimage = 16 >>>> Waiting for input... >>>> Reading input from standard input >>>> Warning: card &CELL ignored >>>> Warning: card / ignored >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> >>>> >>>> >>>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >>>> Error in routine card_atomic_positions (1): >>>> Error while parsing atomic position card. >>>> >>>> >>>> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% >>>> >>>> stopping ... >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> [eval_infix.c] A parsing error occurred >>>> helper string: >>>> 0. >>>> error code: >>>> Error: invalid token: >>>> >>>> >>>> I am attaching the input file. Please help me pointing out the error. >>>> >>>> _______________________________________________ >>>> users mailing list >>>> users@lists.quantum-espresso.org >>>> https://lists.quantum-espresso.org/mailman/listinfo/users >>>> >>> >>> >>> >>> -- >>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, >>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy >>> Phone +39-0432-558216, fax +39-0432-558222 >>> >>> >>> _______________________________________________ >>> users mailing list >>> users@lists.quantum-espresso.org >>> https://lists.quantum-espresso.org/mailman/listinfo/users >>> >> >> >> _______________________________________________ >> users mailing list >> users@lists.quantum-espresso.org >> https://lists.quantum-espresso.org/mailman/listinfo/users >> > > > > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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