Regtest errors and warnings

[Rasmus Jakobsen]

I managed to find a solution to this:

Seems like using gcc 4.8.x caused the errors.
Using a newer version (5.3.0) caused the regtests all to pass 

On Wednesday, October 19, 2016 at 8:14:23 PM UTC+1, Rasmus Jakobsen wrote:
>
> Hey
>
> I have encountered an error and some wrong results using the regtest suit 
> of both cp2k 4.1 and 3.0 on my computer. 
> Both the 4.1 and 3.0 version result in the "wrong" results listed in the 
> attached error summary, but 4.1 also include the error listed in the file. 
>
> For both 4.1 and 3.0 I used the toolchain script included in the new 
> release of cp2k to compile the dependencies I required (all the defaults + 
>  mpich ).
> For completeness here is a list of the version of the dependencies 
> compiled and used. 
> fftw 3.3.4 
> lapack 3.5.0
> libint 1.1.4 
> libxc 2.2.2
> libxsmm 1.4.4 
> mpick 3.2
> openblas 0.2.18
> scalapack 2.0.2
> gcc/gfortran 4.8.5 (red hat 4.8.5-4) (system supplied)
>
> Any ideas for what could be causing the issues? 
>
> As an additional note, I have successfully compiled and run the complete 
> regtests before, using the 3.0 toolchain script on a windows machine using 
> the linux subsystem, that had no errors. 
>
> p.s. 
> The computer is a linux machine (redhat) with an intel cpu.
>
> Rasmus
>
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