[Pw_forum] ph.x v3.2 on NEC SX-8

[wlyim at puccini.che.pitt.edu]

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