Hi Loris,

On 25/06/19 11:02, Loris Bennett wrote:
> According to the following page
> 
>   https://www.cp2k.org/dev:compiler_support
> 
> CP2K is broken ("fails at runtime") if built with the Intel 18.0.1
> compiler.  However, that is the compiler version used for the easyconfig
> 
>   CP2K-6.1-intel-2018a.eb
> 
> Should this easyconfig be deprecated?

I've also seen this but my experience contradicts what CP2K claims. They
say intel/2018a should not work but intel/2018b would. In my tests it's
the other way round. Many (almost all) regtests fail if you try
intel/2018b. So I would stick to the 2018a version for now.

Or even better: use foss. For CP2K it seems to pass a lot more tests.

Ward

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