[Pw_forum] read_file: problem reading .save files
Konstantin Kudin
konstantin_kudin at yahoo.com
Fri May 12 18:11:16 CEST 2006
--- Paolo Giannozzi <giannozz at nest.sns.it> wrote:
> On Friday 12 May 2006 14:09, Gabriele Sclauzero wrote:
>
> > from read_file : error # 1
> > problem reading file /local_scratch/sclauzer/tmp/prefix.save
> I am quite sure this has been fixed in the meantime.
Actually, I encountered the same issue too with one of the very recent
CVS versions (2 days ago). While PW itself proceeds fine from the
distributed *.wfc files, the post-processing codes crash (pw2wannier90
for me). I tracked it a bit to the subroutine read_file.f90, where
things crash in these calls
CALL pw_readfile( 'reset', ierr )
CALL pw_readfile( 'dim', ierr )
even when the *.save directory itself is perfectly visible. Like when
running on 2 cpus of a dual box. I ran under x86-64 Linux with mpich
1.2.7 and ifort 9.0
> Note that
>
> - there is no guarantee that the processor reading the data file is
> the same that wrote it in a previous run. One has no control on
> which processor holds which MPI process.
Some queueing systems read the cpu list from a node file (
$PBS_NODEFILE under PBS ), and so the chance that the order is the same
is high.
> - you need to set wf_collect to .true. in order to save wavefunctions
> into a single file
But then is post-processing smart enough to read the collected file
and distribute it? I could not verify this due to crashes.
> - if I remember correctly, pseudopotentials are still read by every
> processor. There is no special reason for this, other than the time
> and boredom needed to implement it in the same way as the rest
> of I/O (i.e. read on one processor, broadcast all variables to all
> other processors)
But these come from a separate pseudo-directory, do they not?
Kostya
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