[Wien] Problem compiling Wien2k_07.3

[Peter Blaha]

I don't have mkl9.1 nor ifort 10.0 yet.
Library names must be adapted to the specific mkl version. That should be save

The error in setwar.F is unclear to me.

Please change into SRC_lapw1.
ls -als setwar.*

do you see anything else than setwar.F and setwar.o ?? It should NOT!

Try   make     and   make complex

and check the output on the screen, in particular when setwar is compiled.

> I'm compiling the newest version of Wien2k. My system is Suse 10.1, ifor 
> 10.0.025, mkl 9.1.023.
> 
> First, I used the standard option in siteconfig (Linux (Intel ifort 9 or 10 
> compiler + mkl 9.0)). I corrected the paths to my libraries (-L option in 
> LDFLAGS and R_LIBS) and got some errors. Those were resolved by changing 
> the option -lmkl_lapack64 (default) to -lmkl_lapack (as suggested by 
> Gerhard Fecher in his notes) in R_LIBS options. Is this correct work-about? 
> Is it going to influence my calculations?
> 
> After that, I'm getting "only" following errors in compilation of LAPW1:
> Compile time errors (if any) were:
> 
> SRC_lapw1/compile.msg:fortcom: Error: setwar.F, line 96: This label has not 
> been SRC_lapw1/compile.msg:fortcom: Error: setwar.F, line 96: This label is 
> undefined SRC_lapw1/compile.msg:make[1]: *** [setwar.o] Error 1 
> SRC_lapw1/compile.msg:make: *** [real] Error 2 
> SRC_lapw1/compile.msg:fortcom: Error: setwar.F, line 96: This label has not 
> been SRC_lapw1/compile.msg:fortcom: Error: setwar.F, line 96: This label is 
> undefined SRC_lapw1/compile.msg:make[1]: *** [setwar.o] Error 1 
> SRC_lapw1/compile.msg:make: *** [complex] Error 2
> 
> My understanding is that the appropriate lines are not uncommented during 
> compilations or something similar is going on. Any idea how to resolve 
> this?
> 
> Thanks in advance.
> David Holec
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> Wien at zeus.theochem.tuwien.ac.at
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                                       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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