[Wien] Installation problem in pairhess - AIX

[Juergen Spitaler]

Dear Ravindran!

The following changes should fix the problem:

ravindran.ponniah at kjemi.uio.no wrote:
> 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 by adding "d0" to first argument to:
   t=Enormal/max(0.0005d0,w2(k))
> 2. In SRC_2Doptimize
>  xlf90 -O3 -qarch=pwr5 -q64 -c setup2D.f
> "setup2D.f", line 139.0: 1515-010 (S) String is missing a closing
> delimiter.  Closing delimiter assumed at end of line.
> "setup2D.f", line 176.0: 1515-010 (S) String is missing a closing
> delimiter.  Closing delimiter assumed at end of line.
> ** set2dsearch   === End of Compilation 1 ===
> ** creatfhex   === End of Compilation 2 ===
> 1501-511  Compilation failed for file setup2D.f
>   
   => Change in the respective lines "\" to "\\"

Best wishes,
Juergen  Spitaler


-- 
Dr. Jürgen Spitaler
Materials Center Leoben Forschung GmbH and
Chair of Atomistic Modelling and Design of Materials, Leoben University
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8700 Leoben
Tel.: ++43 (0)3842 402 4404
E-Mail: juergen.spitaler at unileoben.ac.at