<div dir="ltr">So after making a fresh initialization, the error remains the same. The file uplapw2.error is indeed empty. The default on AIX is ksh, so I tried both #!/bin/ksh -vp<div style>and #!/bin/bsh -vf. The -p for Kourne Shell means to ignore .profile.</div>
</div><div class="gmail_extra"><br><br><div class="gmail_quote">On Wed, Mar 20, 2013 at 12:58 PM, Laurence Marks <span dir="ltr"><<a href="mailto:L-marks@northwestern.edu" target="_blank">L-marks@northwestern.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Did you run from a fresh initialization or use the old files? It could<br>
be that something went wrong before so perhaps everything is OK.<br>
<br>
Is the file uplapw2.error empty? If it is then it is something after<br>
that in lapw2para. You can edit the first line to be<br>
#!/bin/csh -vf<br>
<br>
(assuming that your csh is standard) and then do x lapw2 -up. You will<br>
get a mess of output but the bottom will give you an idea where it is<br>
failing. (You might want to do something like "x lapw2 -up >> junk"<br>
and then look at the file junk, and/or a different piping of the<br>
output which will depend upon what shell you are using.)<br>
<div class="im"><br>
On Wed, Mar 20, 2013 at 2:49 PM, Oliver Albertini <<a href="mailto:ora@georgetown.edu">ora@georgetown.edu</a>> wrote:<br>
> Thanks to you both,<br>
><br>
</div>> I am currently using a standard lapack library. You are right, the routines<br>
<div class="im">> dggglm and dgelsy were not present in the SRC_lib version. Removing essl<br>
> resulted in even more missing routines, so I tried replacing it with<br>
> standard 64 bit BLAS. It compiled, and I tried with the new mixer, but the<br>
> same messages appeared as before.<br>
><br>
> I am not sure what the meaning of 'syntax error on line 1 stdin' is. Yes it<br>
> still happens when running x lapw2 -up.<br>
><br>
><br>
><br>
><br>
> On Wed, Mar 20, 2013 at 1:07 AM, Peter Blaha <<a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>><br>
> wrote:<br>
>><br>
</div><div><div class="h5">>> Unfortunately I do not have access to an AIX system, so cannot do anything<br>
>> myself.<br>
>><br>
>><br>
>>> I recently compiled 12.1 on AIX (v 6.1) pwr6. Like Luis, I also had to<br>
>>> make some changes to SRC's in order to finish the compilation. These<br>
>>> were mostly issues with xlf like syntax. 9.2 was the most recent version<br>
>>> before this.<br>
>><br>
>><br>
>> If these changes are different from those already mentioned on the mailing<br>
>> list (for gfortran; like comparing two logical variables with .eq.; ...),<br>
>> I'm always interested to know about them and if these changes are because of<br>
>> violations of the f90 standard (accepted by ifort), I'll put them into the<br>
>> next release of WIEN2k.<br>
>><br>
>><br>
>>> STOP LAPW2 END<br>
>>> syntax error on line 1 stdin<br>
>><br>
>><br>
>> You should try to find out what causes this message.<br>
>><br>
>> x lapw2 -up<br>
>><br>
>> does it also occur ? Then the problem is most likely in x_lapw, otherwise<br>
>> in runsp_lapw<br>
>><br>
>> -------------<br>
>> mixer: since mixer is not time-critical, I'd remove the essl, but link<br>
>> only with a "standard-lapack" from the web (or with -llapack_lapw from<br>
>> SRC_lib (not 100% sure, all required routines are in there, since this<br>
>> library contains only a subset of Lapack).<br>
>><br>
>><br>
>><br>
>> --<br>
>><br>
>> P.Blaha<br>
>> --------------------------------------------------------------------------<br>
>> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
>> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>
>> Email: <a href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a> WWW:<br>
>> <a href="http://info.tuwien.ac.at/theochem/" target="_blank">http://info.tuwien.ac.at/theochem/</a><br>
>> --------------------------------------------------------------------------<br>
>> _______________________________________________<br>
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><br>
><br>
<br>
<br>
<br>
</div></div>--<br>
<div class="im HOEnZb">Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a> <a href="tel:1-847-491-3996" value="+18474913996">1-847-491-3996</a><br>
"Research is to see what everybody else has seen, and to think what<br>
nobody else has thought"<br>
Albert Szent-Gyorgi<br>
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</div></div></blockquote></div><br></div>