No subject

Dear Karoly,

Finally I figured out what's going on. The problem was that IBM xlf compiler doesn't like the ending &end in your input file charge.in, that's why it reports the error code 90 for its read statement, so that projwfc.x exited with error message:
      from projwfc : error #        90
      reading inputpp namelist

So on bassi the namelist input file, e.g., your charge.in file, should look like:

&INPUTPP
prefix='5ring_9L_NoTerm',
outdir='/scratch/scratchdirs/nemeth/5ring_9L_NoTerm_AF_ST-C6-neutralized/',
DeltaE=0.01,ngauss=1
/

instead of

&INPUTPP
prefix='5ring_9L_NoTerm',
outdir='/scratch/scratchdirs/nemeth/5ring_9L_NoTerm_AF_ST-C6-neutralized/',
DeltaE=0.01,ngauss=1
&end

But as you have noticed, pgi compiler was fine with &end for the namelist input.

Regards,
Zhengji

For more details, please make a look at the syntax description about namelist for IBM xlf fortran:
http://www.nersc.gov/vendor_docs/ibm/
then click the link
Language Reference [ v9 (PDF) ]

page:228 Namelist Input


for PGI

http://www.nersc.gov/nusers/systems/franklin/vendor_manuals.php/
and then click the link

PGI Fortran Reference
page: 168


Question Reference #080322-000014
---------------------------------------------------------------
  Platform Level 1: Bassi
  Category Level 1: Software
      Date Created: 03/22/2008 14:55
      Last Updated: 04/01/2008 10:18
            Status: Closed
NERSC Staff Owner: Zhengji Zhao
           SPR/PMR:
           Expires:


************************************************************
NERSC User Services     consult at nersc.gov     1-800-66-NERSC
On-Line Help Desk:  http://help.nersc.gov/
[---001:002039:53636---]

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On Wed, 19 Mar 2008, Axel Kohlmeyer wrote:

> On Wed, 19 Mar 2008, Karoly Nemeth wrote:
>
> KN>
> KN> Guys,
>
> karoly,
>
> KN> I am trying to calculate atomic charges from an nspin=2 calculation
> KN> using projwfc.
>
> KN> I am using an input template that used to work with an older version
> KN> of projwfc on another platform.
> KN> Now it sends the message
> KN>
> KN> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> KN>       from projwfc : error #        90
> KN>       reading inputpp namelist
> KN>
> KN> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
> well, that obviously means that your inputpp namelist
> does not conform anymore to the current code. please
> have a look at the documentation and see which flag
> is incorrect. back- and forward compatibility is not
> guaranteed between different versions (you didn't specify
> how far those two versions were apart, btw).
>
> KN>
> KN> I am using the same number of processors as what I used for the pw.x
> KN> calculation.
> KN>
> KN> The input file to projwfc was:
> KN> &INPUTPP
> KN>        prefix='5ring_9L_NoTerm',
> KN>        outdir='/scratch/scratchdirs/nemeth/5ring_9L_NoTerm_AF_ST',
> KN>        DeltaE=0.01
> KN> &end
>
> i would put my money on the DeltaE keyword being no longer supported...
>
> cheers,
>   axel.
>
> KN>
> KN> I would greatly appreciate any help with this issue. I tried to quickly find
> KN> the meaning of "error #        90" but did not get to it yet.
> KN>
> KN> Thanks:
> KN>
> KN> Karoly
> KN>
> KN> _______________________________________________
> KN> Pw_forum mailing list
> KN> Pw_forum at pwscf.org
> KN> http://www.democritos.it/mailman/listinfo/pw_forum
> KN>
>
>

-- 
***********************************************************************
Karoly Nemeth, Ph.D.
Argonne National Laboratory
9700 S. Cass Ave. Argonne, IL 60439.
Advanced Photon Source
Accelerator Physics Group
Building 401, Room B2200
Tel. 630-252-5813
Fax: 630-252-4732
***********************************************************************