[CP2K:4885] some errors when run cp2k for a quickstep

Dominik 'Rathann' Mierzejewski rat... at gmail.com
Mon Jan 13 11:43:08 UTC 2014


On Saturday, 11 January 2014 at 04:56, jian... at gmail.com wrote:
>  OS :CENTOS 6 64
> compiler: intel ifort 11.1.072
> FFTW fftw-3.3.3
> libint : libint-1.1.4
> openmpi-1.6.5

Could you try the cp2k packages from EPEL repository?
They are compiled using gcc, however.

If you can, please configure the EPEL repository on your machine:

and then run
yum install cp2k-openmpi


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