[CP2K-user] [CP2K:11138] Re: van der Waals regtests fail on Intel KNL, and build glitches
alfio.... at gmail.com
Tue Jan 8 18:41:52 CET 2019
Sorry, I'm confused... In your previous table, I see that you have
Intel PSMP OMP=1 gives
85.1906685165 time 434.5
In your last table, MPI1OMP1 takes
Used time = 1.739
Could you compare these two cases? I don't see any reason for such a large
difference besides a numerical problem...
OK, I see that CP2K people will soon have a test based on 18.0.5 and PSMP
). Let's see if there is something wrong for the compiler, at least on the
Xeon. Sorry to repeat myself, the only strategy I see is to have a common
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