[Wien] Installation problem in pairhess - AIX

[Laurence Marks]

On Tue, Feb 2, 2010 at 11:50 AM,  <ravindran.ponniah at kjemi.uio.no> wrote:
>
> Dear Wien2k users,
>
> I have problem in compiling some routines in IBM machine.
>
> 1. In SRC_pairhess I am getting the error message
>
> ###
>  xlf90 -O5 -qarch=pwr5 -q64 -c constrain.f
> "constrain.f", line 293.30: 1513-041 (S) Arguments of the wrong type were
> specified for the INTRINSIC procedure "max".
> ** eigenhess   === End of Compilation 1 ===
> 1501-511  Compilation failed for file constrain.f.
> make: 1254-004 The error code from the last command is 1.
> xxxxxxxx

Change line 293 of constrain.f to read
        t=Enormal/max(0.0005D0,w2(k))

>
>
> Do you know how to resolve these problems?
>
> Best regards
> Ravi
>
>
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-- 
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
Chair, Commission on Electron Crystallography of IUCR
www.numis.northwestern.edu/
Electron crystallography is the branch of science that uses electron
scattering and imaging to study the structure of matter.