[Wien] wien2k installation problem on IBM Power 7

[Zhu, Jianxin]

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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