[Wien] IBM AIX error

[Laurence Marks]

Did you run from a fresh initialization or use the old files? It could
be that something went wrong before so perhaps everything is OK.

Is the file uplapw2.error empty? If it is then it is something after
that in lapw2para. You can edit the first line to be
#!/bin/csh -vf

(assuming that your csh is standard) and then do x lapw2 -up. You will
get a mess of output but the bottom will give you an idea where it is
failing. (You might want to do something like "x lapw2 -up >> junk"
and then look at the file junk, and/or a different piping of the
output which will depend upon what shell you are using.)

On Wed, Mar 20, 2013 at 2:49 PM, Oliver Albertini <ora at georgetown.edu> wrote:
> Thanks to you both,
>
> I am currently using a standard lapack library. You are right, the routines
> dggglm and dgelsy were not present in the SRC_lib version. Removing essl
> resulted in even more missing routines, so I tried replacing it with
> standard 64 bit BLAS. It compiled, and I tried with the new mixer, but the
> same messages appeared as before.
>
> I am not sure what the meaning of 'syntax error on line 1 stdin' is. Yes it
> still happens when running x lapw2 -up.
>
>
>
>
> On Wed, Mar 20, 2013 at 1:07 AM, Peter Blaha <pblaha at theochem.tuwien.ac.at>
> wrote:
>>
>> Unfortunately I do not have access to an AIX system, so cannot do anything
>> myself.
>>
>>
>>> I recently compiled 12.1 on AIX (v 6.1) pwr6. Like Luis, I also had to
>>> make some changes to SRC's in order to finish the compilation. These
>>> were mostly issues with xlf like syntax. 9.2 was the most recent version
>>> before this.
>>
>>
>> If these changes are different from those already mentioned on the mailing
>> list (for gfortran; like comparing two logical variables with .eq.; ...),
>> I'm always interested to know about them and if these changes are because of
>> violations of the f90 standard (accepted  by ifort), I'll put them into the
>> next release of WIEN2k.
>>
>>
>>> STOP  LAPW2 END
>>> syntax error on line 1 stdin
>>
>>
>> You should try to find out what causes this message.
>>
>> x lapw2 -up
>>
>> does it also occur ? Then the problem is most likely in  x_lapw, otherwise
>> in runsp_lapw
>>
>> -------------
>> mixer: since mixer is not time-critical, I'd remove the essl, but link
>> only with a "standard-lapack" from the web (or with -llapack_lapw from
>> SRC_lib (not 100% sure, all required routines are in there, since this
>> library contains only a subset of Lapack).
>>
>>
>>
>> --
>>
>>                                       P.Blaha
>> --------------------------------------------------------------------------
>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
>> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
>> Email: blaha at theochem.tuwien.ac.at    WWW:
>> http://info.tuwien.ac.at/theochem/
>> --------------------------------------------------------------------------
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
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>
>



-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi