No... I submitted it with 6 processors instead of 12. I did not know I had to mantain the same number.
Thank you very much ======================== Dr. Daniel Reta, Post-doctoral Research Associate, Computational Chemistry, School of Chemistry University of Manchester Email: [email protected] ======================== ________________________________________ From: [email protected] [[email protected]] on behalf of Paolo Giannozzi [[email protected]] Sent: 21 April 2017 09:58 To: PWSCF Forum Subject: Re: [Pw_forum] from phq_readin : error # 19 Is the mentioned file there, and not empty? if so: are you running with the same number of processors and same parallelization as the scf calculation? On Thu, Apr 20, 2017 at 2:01 PM, Daniel Reta <[email protected]> wrote: > Oh wow, that was embarrassing! sorry for the silly question. > > However, now I get another error, which I hope is not as silly > > Error in routine diropn (10): > error opening /scratch/mbdssdr5/QE/Dy_III-Cl_O/Dy_III.wfc5 > > Cheers > > > ======================== > > Dr. Daniel Reta, > Post-doctoral Research Associate, > Computational Chemistry, School of Chemistry > University of Manchester > > Email: [email protected] > > ======================== > > ________________________________________ > From: [email protected] [[email protected]] on behalf of > Paolo Giannozzi [[email protected]] > Sent: 20 April 2017 12:08 > To: PWSCF Forum > Subject: Re: [Pw_forum] from phq_readin : error # 19 > > pseudo_dir is not an input variable of the phonon code, IIRC. Paolo > > Il 20/apr/2017 11:36 AM, "Daniel Reta" > <[email protected]<mailto:[email protected]>> ha > scritto: > Dear all, > > I am trying to run a phonon calculation at the gamma point. This is my input > > &inputph > prefix='Dy_III', > pseudo_dir='CurDir', > outdir='Scratch', > epsil=.true., > fildyn='dyn.G', > tr2_ph=1.0d-14 > / > 0.0 0.0 0.0 > > where CurDir and Scratch are defined in the same manner as in the previous > scf calculation which converged properly. Dy_III is the prefix for the wfc of > the previous calculation. > > I get the following error printed in the CRASH file > > > task # 1 > from phq_readin : error # 19 > reading inputph namelist > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > task # 5 > from phq_readin : error # 19 > reading inputph namelist > > > and this > > Error in routine phq_readin (19): > reading inputph namelist > > in the output file. > > Could anyone please indicate me what I am doing wrong? > > Best regards > > ======================== > > Dr. Daniel Reta, > Post-doctoral Research Associate, > Computational Chemistry, School of Chemistry > University of Manchester > > Email: [email protected]<mailto:[email protected]> > > ======================== > > _______________________________________________ > Pw_forum mailing list > [email protected]<mailto:[email protected]> > http://pwscf.org/mailman/listinfo/pw_forum > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
