The possibilities I guessed: 1, Do you have authority to access that directory? 2, Do you have enough HDD space for the wavefunction file? 3, How about cleaning the directory /home/.../exec/ and re-running the task?
-- GAO Zhe CMC Lab, Materials Science & Engineering Department, Seoul National University, South Korea At 2012-07-19 05:05:13,"Pedro Augusto F. P. Moreira" <pmoreira at ifi.unicamp.br> wrote: > Dear all, > > I am trying to pw.x, but the following error happens: > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > task # 0 > from diropn : error # 10 > error opening /home/pedro/Documentos/espresso-5.0/exec/h2o.wfc1 > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > I imagine that the pw.x should open the wcf1 file. Am I rigth? Can >anyone say why this error is happening? I managed to run the same >simulation, but with an isolated molecule. My input follows below. > > Thanks, > > Pedro > >-- >Pedro Moreira > >IFGW - Unicamp - Brazil > >######################################################### >&control >calculation='relax', >restart_mode='from_scratch', >pseudo_dir='/home/pedro/Documentos/espresso-5.0/pseudo', >outdir='/home/pedro/Documentos/espresso-5.0/exec', >prefix='h2o', >tprnfor = .true., >nstep = 1, >/ >&system >ibrav = 0, >nat = 1080, ntyp = 2, >ecutwfc = 70.0, ecutrho = 850.0, >/ >&electrons >electron_maxstep = 500, >/ >&ions >/ >ATOMIC_SPECIES >H 1.00790 H.blyp-van_ak.UPF >O 15.9994 O.blyp-van_ak.UPF >CELL_PARAMETERS angstrom >22.15 0.000 0.000 >0.000 23.02 0.000 >0.000 0.000 21.55 >K_POINTS crystal >1 >0.00000000 0.00000000 0.00000000 1.000000e+00 >ATOMIC_POSITIONS angstrom > >1080 atoms >###################################################### >_______________________________________________ >Pw_forum mailing list >Pw_forum at pwscf.org >http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120719/965a40e2/attachment.htm
