On Tuesday 23 May 2006 23:14, Eduardo Ariel Menendez P wrote: > I m trying to do a phonon calculation with ph.x version 3.1. The code > aborts like this > ********************************** > Representation 124 2 modes - To be done > > Representation 125 2 modes - To be done > PHONON : 15h13m CPU time > > /home/eduardo/opt/mpich/1.2.7/bin/mpirun.ch_p4: line 243: 14349 > Segmentation fault [...] > Should I find the cause in MPICH compilation or in Espresso? > The system has 63 atoms? Is it too big for ph.x? Memory limited?
hard to say, but it is very likely that memory is the reason. The phonon code, especially the ultrasoft case, is not well optimized for memory usage in large calculations. A few places where excessive memory was required have been fixed, but more work is needed Paolo -- Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
