[Pw_forum] phonon segmentation fault

[Paolo Giannozzi]

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 
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