[Wien] Problem with WIEN2k_07 on the HP-UX (solution)

[Peter Blaha]

> -compile rotdef.f with +O1 optimization
> -copy cputim_dec.f cputim.f
> -recompile
> -change Makefile in SRC_mixer to include line:
> F.o.:
>     same as line with f.o.:

Thank's for finding the Makefile inconsistency with F.o (aparently in Linux it does not matter.

I also will change in siteconfig for the "hp" system the cpfile to dec. (Otherwise it would be
nice to know if cputim.c works on your hp, because this is the default nowadays for most systems
(just remove cputim.f and copy the cputim_generic.c file to cputim.c (eg. in lapw1 dir)

I don't really know what to do with the compiler problem and +O3 for rotdef.f

It would be nice if you could check the x_lapw script for me.
You mentioned the "cut" command, which is used in

set cmplx=`cut $file.struct -b -6 |\
...

Can you execute on the command line in a "case" directory:

set file=case    (replace case by your dir)
cut $file.struct -b -6

it should list the first 6 characters of the struct file.
If this syntax is not supported by HP-UX cut, maybe it works with:

cut $file.struct -c1-6

And you could put this into x_lapw and test it.
If this is not the problem, than it is the following awk ... ?


> There is the problem with startup script "x" on this platform in the new
> version 8.1, 
> the problem is that "cut" utility is not properly started. 

> if !($?cmplx) then
> set cmplx=`cut $file.struct -b -6|\
> awk 'BEGIN{c="c"};{if ($0 == "-1 0 0") {\
> getline; {if ($0 == " 0-1 0"){\
> getline; {if ($0 == " 0 0-1"){c= ""}}}}}};\
> END{print c}'` 
> endif


-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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