[Wien] Syntax ERROR in WIEN2k_14 ??

[Fecher, Gerhard]

Peter, thanks
!! helps

but I will also try to use a newer version of the compiler

Ciao
Gerhard

DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

====================================
Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
________________________________________
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Peter Blaha [pblaha at theochem.tuwien.ac.at]
Gesendet: Freitag, 12. September 2014 14:04
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Syntax ERROR in WIEN2k_14 ??

in this subroutine lap_pb.f at lines 575 and 46 there is:

!$ DOACROSS Local ...

Which seems to be a leftover from an parallelization direction.

I'd suggest to put another ! in front:

!!$ DOACROSS Local ...

Please let me know if this fixes the problem.

On 09/12/2014 09:33 AM, Fecher, Gerhard wrote:
> To whom it concerns,
>
> The following error occurs when using composer XE 2013.5.192
> Compile time errors (if any) were:
> SRC_lapwso/compile.msg:lap_bp.f(575): error #5082: Syntax error, found IDENTIFIER 'LOCAL' when expecting one of: ( % [ : . = =>
> SRC_lapwso/compile.msg:lap_bp.f(4656): error #5082: Syntax error, found IDENTIFIER 'LOCAL' when expecting one of: ( % [ : . = =>
> SRC_lapwso/compile.msg:make[1]: *** [lap_bp.o] Fehler 1
> SRC_lapwso/compile.msg:make: *** [seq] Fehler 2
>
> The syntax error does not occur when using 11.1.080   !
>
> does it also occur for other (maybe more) recent versions of the intel compiler ?
>
> Note: the intel link advisor may suggest -i8 as compiler option  (XE 2013.5.192), this option did not work at all for me
> I guess it should better be -m64
>
> Ciao
> Gerhard
>
> DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
> "I think the problem, to be quite honest with you,
> is that you have never actually known what the question is."
>
> ====================================
> Dr. Gerhard H. Fecher
> Institut of Inorganic and Analytical Chemistry
> Johannes Gutenberg - University
> 55099 Mainz
> ________________________________________
> Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]" im Auftrag von "Peter Blaha [pblaha at theochem.tuwien.ac.at]
> Gesendet: Montag, 8. September 2014 15:12
> An: A Mailing list for WIEN2k users
> Betreff: [Wien] WIEN2k_14
>
> Dear wien2k users,
>
> After quite some struggle a new version, WIEN2k_14.1, has been released.
>
> It contains among others:
>
> - new versions of
>        lapwso mpi-version, bug fixes),
>        lapw0 (major changes and fixes, new XC-specification)
>        lapw5  (new STM-mode)
>        nmr
>        w2web interface (batch-initialization as default, updated
>             scf-switches, more optional steps in various "tasks".
>        and many others
> -new packages:
>        wien2wannier,
>        BerryPI,
>        IRelast
> -many new options and features:
>        run(sp)_lapw  -dftd3 -min
>        save_lapw (saves now by default also input files)
>        init_mbj (varios parametrizations), better scf-convergence of mBJ
>
> For a more detailed list of changes see:
>                     http://www.wien2k.at/reg_user/updates/
>
> I strongly recommend to update.
>
> Please report any problems via the mailing list and I'll update quickly
> if I can confirm the problem.
>
> --
>
>                                         P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WWW:
> http://info.tuwien.ac.at/theochem/
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--

                                       P.Blaha
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW:
http://info.tuwien.ac.at/theochem/
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