Brilliant, thanks Paolo. The parallel executable with the added input_from_file appears to be working. For the moment with 1 processor - is d3 fully parallelized? Can I run it with more?
The davcio error was for the sequential executable, which is either incompatible with the parallel generated files, or just buggy. Ciao Matthieu On Sat, Sep 25, 2010 at 4:11 PM, Paolo Giannozzi <giannozz at democritos.it> wrote: > > On Sep 25, 2010, at 2:49 , matthieu verstraete wrote: > >> http://www.democritos.it/pipermail/pw_forum/2003-June/000339.html > > that was 7 years ago! > >> pw.x and ph.x have no problems with the -inp directives. Don't know >> why d3 does. > > oh well. Because support for -inp it is not there. Quick-and dirty > fix: in D3/d3_readin.f90, > add > > ? ? ?CALL input_from_file ( ) > > between > > ? IF ( ionode ) THEN > > and > ? ? ?! > ? ? ?! ? ?Read the first line of the input file > ? ? ?! > ? ? ?READ (5, '(a)', err = 100, iostat = ios) title > > Before starting an enquiry on the "davcio error" (seomthing that > should never happen) > It would be useful to know whether the problem shows up on other > machines as well > > P. > --- > Paolo Giannozzi, Dept of Physics, University of Udine > via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Prof. Matthieu Verstraete Universite de Li?ge Institut de Physique, Bat. B5, 3/7 All?e du 6 aout, 17 B- 4000 Sart Tilman, Li?ge Belgium Associate member European Theoretical Spectroscopy Facility (ETSF http://www.etsf.eu) Phone : +32 4 366 90 17 Fax?? : +32 4 366 36 29 Mail : matthieu.verstraete at ulg.ac.be ? ? ? ? ? matthieu.jean.verstraete at gmail.com
