[Wien] wien2k installation problem on IBM Power 7

Gavin Abo gsabo at crimson.ua.edu
Thu Aug 1 06:52:16 CEST 2013


Try changing

(/1:nr/)

to

(/ (i,i=1,nr) /)

I believe the later is a more standard equivalent syntax.

On 7/31/2013 9:15 PM, Zhu, Jianxin wrote:
> Hi Peter and Wien2k Users,
>
> When I install wien2k on a IBM Power 7 unit with xlf90_r etc., I see 
> the following compilation errors ---
>
> 1. In the more recent version like 12.1, a qmix8.F and SRC_hf folder 
> are added to the package
>
> For qmix8.F, the error comes at lines like
>
>                write(21,2121),XUSE,' due to touching spheres'
>
> So I manually changed it to
>                 write(21,2121) XUSE,' due to touching spheres'
>
> 2. In the subdirectory of SRC_hf, the symptom of the error is
>
> xlf90_r -O3 -qalign -qstrict -q64 -qarch=auto -c calc_rhovalvxsl_tmp_.F
> "calc_rhovalvxsl_tmp_.F", line 25.48: 1515-019 (S) Syntax is incorrect.
> corresponding to the source line
>
>         r(1:nr) = r0(iat)*exp(dx(iat)*(dble((/1:nr/))-1d0))
>
> I know that this way of coding is quite simpler but is not necessarily 
> application to all compilers.
> For IBM XLF, can you suggest some option to recognize the above coding 
> style?
> Otherwise, I will have to change it manually to a do-loop.
>
> Also, for the continuation of one line, for some executable 
> statements, I need to provide a second "&" sign like
>
>         if ((nonself .eqv. .false.) .and. (diaghf .eqv. .false.)) &
>            write(21,'(":CCESUM    : ",1x,f22.9,3X,"(Ry)")') ccesum
>
> --->
>
>         if ((nonself .eqv. .false.) .and. (diaghf .eqv. .false.)) &
>        &    write(21,'(":CCESUM    : ",1x,f22.9,3X,"(Ry)")') ccesum
>
> There are a lot of places ,where I have to do this.
> Is there a simple option for me to avoid manually changing the code?
>
> Thanks for sharing your experience.
>
> Cheers,
>
> Jianxin

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