[Pw_forum] ph.x v3.2 on NEC SX-8
wlyim at puccini.che.pitt.edu
wlyim at puccini.che.pitt.edu
Sun Apr 15 20:38:29 CEST 2007
Dear Paolo,
It crashed at the beginning of atom_rho subroutine.
=====================================================
! allocate work space (psic must already be allocated)
!
allocate (rhocg( ngm, nspina)) <-- problematic line
ndm = MAXVAL ( msh(1:ntyp) )
=====================================================
Best regards,
William
On Sun, 15 Apr 2007, Paolo Giannozzi wrote:
>
> On Apr 14, 2007, at 20:48 , wlyim at puccini.che.pitt.edu wrote:
>
> > "mpirun -np 1 ./pw.x -in alas.scf.in" works. However, when using 2
> > cpus,
> > the program crashed, which seemed to be related to the allocation
> > problem
> > in "atomic_rho.f90".
> > [...]
> > Initial potential from superposition of free atoms
> > **** 90 Fatal exception PROG=atomic_rho ELN=116(40038f7f4)
> > SIGSEGV: Segmentation violation
> > Called from potinit ELN=202(4002b8b3c)f7f4)
>
> > [...] I am not sure if this is a compiler problem, or compiler
> > option problem,
> > or something else. Any idea will be welcome.
>
> try to locate the exact point where the code crashes. Maybe it will give
> you some idea.
>
> Paolo
> ---
> Paolo Giannozzi, Democritos and University of Udine, Italy
>
>
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--
Dr. Wai-Leung Yim
Institut fuer Reine und Angewandte Chemie,
Theoretische Chemie,
Carl von Ossiezky Universtaet Oldenburg,
26129 Oldenburg,
Germany
Email: wlyim at puccini.che.pitt.edu
Phone: +49-441-798-3950 (office)
Fax: +49-441-798-3964
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