[Pw_forum] from projwfc : error # 90 (fwd)

[Karoly Nemeth]

Guys,

about two weeks ago we discussed an error message related to projwfc, 
namely "from projwfc : error #        90".
It turned out that it was due to the use of the xlf compiler. More details 
ca be found below. Just in case anybody else would be wondering on this 
error message on some platforms and compilers.

Karoly

---------------------------------------------------------------
>From NERSC help-desk:
Response (Zhengji Zhao) - 04/01/2008 10:18
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---]

---------------------------------------------------------------------------

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
***********************************************************************