[Wien] Wien2k 16 siteconfig_lapw error

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Dec 14 08:42:20 CET 2016


Thanks for the report.

A patched siteconfig_lapw is attached and the sources at the download 
page have been updated.

Regards


  12/13/2016 07:22 PM, Ingo Loa wrote:
> I also encountered this problem with a standard ifort configuration
> (system I). As far as I can see, the error occurs if no FFTW_LIBS are
> specified. Lines 143 onwards in siteconfig_lapw seem to assume that
> FFTW_LIBS is set to some path:
>
> set FFTWpath = `grep FFTW_LIBS $bin/WIEN2k_OPTIONS | cut -f 3 -d: |cut
> -f 3 -d ' ' | cut -c3-`
> set i=`echo $FFTWpath|wc`
> iloop:
> @ i[3] -= 1
> set test=`echo $FFTWpath|cut -c$i[3]`
> if("$test" != "/") goto iloop
> if( $i[3] < 1 ) set i[3]=1
> set FFTWpath = `echo $FFTWpath|cut -c1-$i[3]`
>
> It may be enough to skip this part if FFTW_LIBS (or FFTWpath) is empty.
>
>
> Ingo
>
>
>
>
> At 13/12/2016  17:19, you wrote:
>> Nobody can reproduce this, when you don't tell us what "system" you
>> specified and also what other options you selected.
>>
>> Is it one of the "supported" ones (ifort or gfortran )?
>>
>> Am 13.12.2016 um 17:42 schrieb Kefeng Wang:
>>> Dear WIEN2k developers and users,
>>>
>>>
>>>
>>> Thanks a lot for effort to make the new version available. I am trying
>>> to compile the WIEN2k 16, but I got problem running siteconfig_law. For
>>> the first time running siteconfig_lapw, after I specified the compiler
>>> and compile option, the screen shows "cut: fields and positions are
>>> numbered from 1" and stop there. If I force to quite the siteconfig_lapw
>>> and run it again, it gave nothing but that message again. Did anybody
>>> meet this and could help me out?
>>>
>>>
>>>
>>> Thanks.
>>>
>>>
>>>
>>> Best
>>>
>>> Kefeng Wang
>>>
>>>
>>>
>>> _______________________________________________
>>> Wien mailing list
>>> Wien at zeus.theochem.tuwien.ac.at
>>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>> SEARCH the MAILING-LIST at:
>>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>>
>> --
>> --------------------------------------------------------------------------
>>
>> 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    WIEN2k: http://www.wien2k.at
>> WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
>> --------------------------------------------------------------------------
>>
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>> SEARCH the MAILING-LIST at:
>> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
>>
>
> ______________________________________________________________________
>
> Dr Ingo Loa                                     Tel: +44 131 6517212
> The University of Edinburgh
> School of Physics and Astronomy
>   and Centre for Science at Extreme Conditions
> King's Buildings, Edinburgh EH9 3FD, United Kingdom
>
>
>

-- 

                                       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    WIEN2k: http://www.wien2k.at
WWW:   http://www.imc.tuwien.ac.at/TC_Blaha
--------------------------------------------------------------------------
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