[Wien] wien2k flags for ifor 12.0 + mkl 10.3 ?

[Peter Blaha]

> But, how you could fix the compilation error #5012 Cannot open include file
> 'mkl_vml.fi' for the programs: lapw0, lapw1 and lapw2?

You have to setup your environment properly by sourcing two setup files for compiler
and mkl.
I guess, siteconfig even recommends this to you, otherwise search the old mailinglist.


> I've also found an additional compilation error probably because some kind
> of incompatibility between wien2k-10.1 and the new intel software:
>
> /opt/intel/composerxe-2011.0.084/bin/ia32/icc -c W2kutils.c
> W2kutils.c(131): warning #167: argument of type "void (*)()" is incompatible
> with parameter of type "__sighandler_t"
>             signal ( SIGINT, w2ksignal_int );  /* Interrupt */

Also this was discussed in the mailing list before, but probably is only a warning.


-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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