[Wien] Some minor issues in compiling WIEN2k_09.1 on IBM ....

Peter Blaha pblaha at theochem.tuwien.ac.at
Sat Feb 7 21:16:36 CET 2009


Thank's for the report.

Updated sources on the web.

Juergen Spitaler schrieb:
> Dear Prof. Blaha,
> I found some minor issues when compiling WIEN2k on
> an IBM system with AIX:
> 
> - SRC_2Doptimize: "setup2D.f", several error messages like
>    "line 121.0: 1515-010 (S) String is missing a closing delimiter ..."
>   => Can be fixed by changing in the respective lines "\" with "\\"
> 
> - SRC_2Doptimize: "arrows.f", several error messages like
>    line 37.13: 1516-042 (S) Operand must be type LOGICAL.
>   => Can be fixed by changing NEQV to NE in whole arrows.f
> 
> - SRC_mixer: Error in routine LimitDMIX.F, Line 81:
>      "LimitDMIX.F", line 81.54: 1513-041 (S) Arguments of the wrong type
>       were specified for the INTRINSIC procedure "max".
>   => can be fixed by changing  in line 81"  if(memory .eq. 1)
> qlimit1=max(qlimit1,0.015)"
>      the last number "0.015" to "0.015d0"
> 
>  - SRC_trig: ERROR: "xyz2struct.f", line 30.15: 1516-044 (S) A
> conversion from type LOGICAL is not permitted.
>    Reason: In line 30, a variable "lattice" is declared as ".false.",
> but "lattice" is never declared nor used anywhere
>    =>  "lattice" in line 30 should most probably  be changed to "lattic"
> 
> Best wishes,
> Juergen Spitaler
> 
>   
> 


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