Issues with different Intel compilers?

Stefan Becuwe stefan... at
Mon May 8 08:22:16 UTC 2017


Apart from the FFT issues with Intel 2017 compilers [], we guess 
there might be issues with other compilers versions too... This post is a 
follow up of []
Using other input files (attached), we were able to reproduce the behavior.

We compiled CP2K 2.6, 3.0 and 4.1 with following Intel compilers: Build 20141023 Build 20151021 Build 20160415 Build 20170404

Using the first two compilers, CP2K 2.6 and 3.0 finish for the given input. 
(We only tried 2.6 and 3.0 for these compilers.)
Using the last two compilers, CP2K 2.6, 3.0 and 4.1 seem to "hang", i.e., 
it does no longer produce any output (see output file in attachment) and 
the job crashes when the walltime has been reached.

Do you have any advice which Intel compilers are known to work with CP2K or 
which issues are known? Thanks!

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