[CP2K:4658] Cp2k compiled but some test files fail

[Iain Bethune]

Hi Samuel,

I have new tried building CP2K on the Mac, however the error you have below is because you have defined the archive utility in your Darwin.popt arch files as AR=xair and the 'xair' binary cannot be found.  You should be able just to use the standard 'ar' tool on the max without any problem I would have thought.

Cheers

- Iain

--

Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
Twitter: @IainBethune
Web: http://www2.epcc.ed.ac.uk/~ibethune
Tel/Fax: +44 (0)131 650 5201/6555
Mob: +44 (0)7598317015
Addr: 2404 JCMB, The King's Buildings, Mayfield Road, Edinburgh, EH9 3JZ








On 1 Oct 2013, at 18:09, Samuel Lamphier wrote:

> Hi, thank you for your insight, I am try to get 13.1.3 working. I am also having an additional error on another machine. This is a mac pro 10.7.5, same composer xe and intel setup. I was wondering if you had any knowledge of this?
> 
> xair -r /Users/cormackgroup/Downloads/cp2k-2.4.0/makefiles/../lib/Darwin/popt/libcp2k_elpa_lib.a 
> make[1]: xair: No such file or directory
> ifort -FR -g  -c -D__INTEL -D__FFTMKL -D__FFTW3  -I/opt/intel/composer_xe_2013.5.198/mkl/interfaces/fftw3xf -FR -O2 -xhost -heap-arrays -fpp -free -g  lib_kinds.f90 
> ifort -FR -g  -c -D__INTEL -D__FFTMKL -D__FFTW3  -I/opt/intel/composer_xe_2013.5.198/mkl/interfaces/fftw3xf -FR -O2 -xhost -heap-arrays -fpp -free -g  smm.f90 
> make[1]: *** [/Users/cormackgroup/Downloads/cp2k-2.4.0/makefiles/../lib/Darwin/popt/libcp2k_elpa_lib.a] Error 1
> make[1]: *** Waiting for unfinished jobs....
> make: *** [build] Error 2
> 
> On Monday, September 30, 2013 3:56:26 AM UTC-4, IBethune wrote:
> Yes, we are using 13.1.3 from XE 2013 update 5 at the moment and it is working fine. 
> 
> Cheers 
> 
> - Iain 
> 
> -- 
> 
> Iain Bethune 
> Project Manager, EPCC 
> 
> Email: ibe... at epcc.ed.ac.uk 
> Twitter: @IainBethune 
> Web: http://www2.epcc.ed.ac.uk/~ibethune 
> Tel/Fax: +44 (0)131 650 5201/6555 
> Mob: +44 (0)7598317015 
> Addr: 2404 JCMB, The King's Buildings, Mayfield Road, Edinburgh, EH9 3JZ 
> 
> 
> 
> 
> 
> 
> 
> 
> On 29 Sep 2013, at 06:24, Joe Greenstone wrote: 
> 
> > Hi Iain, 
> >   
> > Had also upgraded to ifort 14.0.0 in composer xe 2013 sp1. 
> >   
> > Are you now using ifort 13.1.3 in composer xe 2013 update 5? 
> > 
> >   
> >   
> > On Saturday, 28 September 2013 05:28:10 UTC+9:30, IBethune wrote: 
> > Hi Samuel. We have also just upgraded to the intel 14.0 compiler in compeer ex 2013 sp 1 and saw the same problem for various test cases. I've reported a bug to Intel and am currently waiting for them to investigate.  For now it's better to use the 13.1 compiler! 
> > 
> > -- 
> > You received this message because you are subscribed to the Google Groups "cp2k" group. 
> > To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+... at googlegroups.com. 
> > To post to this group, send email to cp... at googlegroups.com. 
> > Visit this group at http://groups.google.com/group/cp2k. 
> > For more options, visit https://groups.google.com/groups/opt_out. 
> 
> 
> -- 
> The University of Edinburgh is a charitable body, registered in 
> Scotland, with registration number SC005336. 
> 
> 
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at http://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/groups/opt_out.


-- 
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.