[Wien] Syntax ERROR in WIEN2k_14 ??
Zhu, Jianxin
jxzhu at lanl.gov
Fri Sep 12 16:03:40 CEST 2014
Hi Gerhard,
I didn't have this problem with version xe_2013.5.198, a little newer than
5.192.
However, the use of !! for lines 575 and 4656 is even better.
Thanks,
Jianxin
On 9/12/14 7:48 AM, "Fecher, Gerhard" <fecher at uni-mainz.de> wrote:
>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but I will also try to use a newer version of the compiler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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