Issues with different Intel compilers?

Stefan Becuwe stefan... at gmail.com
Mon May 8 10:22:16 CEST 2017


Hello,

Apart from the FFT issues with Intel 2017 compilers [
https://groups.google.com/d/msg/cp2k/A2Rf79443D4/wjYK6lBbAQAJ], we guess 
there might be issues with other compilers versions too... This post is a 
follow up of [https://groups.google.com/d/msg/cp2k/EFggHvw_Rdw/SSKJUWteEAAJ]
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:
15.0.1.133 Build 20141023
16.0.1.150 Build 20151021
16.0.3.210 Build 20160415
17.0.3.191 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!

Regards,
Stefan
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