[CP2K:4646] Cp2k compiled but some test files fail

Samuel Lamphier samuell... at gmail.com
Tue Oct 1 19:09:47 CEST 2013


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 <javascript:> 
> Twitter: @IainBethune 
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> 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! 
> > 
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