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 ######################################################