[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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