The postprocessing code "cppp.x" for CP does not work together with the "new" data file format. You may recompile with -D__OLDXML if you need it.
Paolo On Wed, Jan 16, 2019 at 11:26 AM Merlin Meheut <[email protected]> wrote: > Dear PWSCF users, > > I would like to report an apparent bug occuring when using the code cppp.x > in version qe62. When using cppp.x to generate axsf trajectory files, with > input cppp.inp (below) the code answers: > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > task # 0 > from cppp : error # 1 > Cannot open file .//CaCl2-62wrl_51.save//data-file.xml > > > %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% > > And indeed, the file data-file.xml is not generated in teh current > version, replaced(?) by > data-file-schema.xml. Bur renaming this last file does not solve this > problem. So it seems that cp.x has evolved in its output, but that cppp was > not adapted. Am I correct? Has this point been fixed in former versions? > > input file cppp.inp: > &INPUTPP > prefix='CaCl2-62wrl', > fileout='CaCl2-62wrl', > output='xsf', > lforces=.false., > ldynamics=.true., > lpdb=.false., > nframes=86, > ndr=51, > &END > > Thank you in advance for your help, > > Best regards, > > > -- > Merlin Méheut > adresse labo: > GET - OMP - Université Paul Sabatier > 14 avenue Edouard Belin > 31400 Toulouse > FRANCE > tel: (+33) 5 61 33 26 17 > > _______________________________________________ > users mailing list > [email protected] > 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
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