[Q-e-developers] problem with pp

[Nicola Manini]

Hello,
		recent versions of pp.x seem to have turned incompatible with previous 
input format.  The following input:
  &inputpp
     outdir='./' ,
     prefix='ge100-p2x1-out',
     filplot = 'ge100.pot' ,
     plot_num= 1 ,
  /
  &plot
     iflag = 3,
     output_format = 5,
     fileout = 'ge100.xsf',
  /

was processed fine until version 4.0 of QE (of course assuming that a 
./ge100-p2x1-out.save/ folder containing the appropriate files was there). 
The output log is attached (pp_v4.0.out).

The current version 4.3.2 produces the attached log (pp_v4.3.2.out) and in 
stopping generates the following stderr message:
########################################################################################################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_end (iotk_scan.f90:241)
# CVS Revision: 1.23
# foundl
# ERROR IN: iotk_close_read (iotk_files.f90:746)
# CVS Revision: 1.20
########################################################################################################################----------------------------------------
followed by a MPI_ABORT message.
Of course, no .pot & .xsf are generated.

Is this a documented problem?
Maybe related to
http://qe-forge.org/scm/viewvc.php/trunk/espresso/PW/pw_restart.f90?root=q-e&r1=7831&r2=7830&pathrev=7831 
?

For completeness, I note that also the intermediate version 4.3 fails on the 
same input, with a similar but not quite identical error message:
########################################################################################################################
# FROM IOTK LIBRARY, VERSION 1.2.0
# UNRECOVERABLE ERROR (ierr=1)
# ERROR IN: iotk_scan_end (iotk_scan.spp:233)
# CVS Revision: 1.23
# foundl
# ERROR IN: iotk_close_read (iotk_files.spp:645)
# CVS Revision: 1.20
########################################################################################################################----------------------------------------

Thank you for any help, and happy 2012!
						Nick Manini
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: pp_v4.0.out
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20120111/8db0335e/attachment.ksh>
-------------- next part --------------
An embedded and charset-unspecified text was scrubbed...
Name: pp_v4.3.2.out
URL: <http://lists.quantum-espresso.org/pipermail/developers/attachments/20120111/8db0335e/attachment-0001.ksh>