Recently I played around with some AMD EPYC cpus and the bad thing is that I also saw some strange numbers when using libflame/aocl 2.1.

The 'workaround' is probably to just use Intel's MKL. Since version 2020 the MKL performs rather well when using AMD cpus, however, if you want to get the best performance you have to additionally set:

export MKL_DEBUG_CPU_TYPE=5

which gives an additional 10-20% speedup with MKL 2020, while for earlier versions the speedup is greater than 200%

Kind regards,
Tobias

On 2/2/20 10:57 PM, Paolo Giannozzi wrote:
On Sun, Feb 2, 2020 at 10:23 PM Evgeny Permyakov <permea...@gmail.com <mailto:permea...@gmail.com>> wrote:

    sidenote: I had to set  **orte_execute_quiet = true** in
    ~/.openmpi/mca-params.conf so mpi didn't mess with extra messages


thank you for  this useful piece of information: I got rid of those annoying messages

    I don't use epw in my work and pwscf tests work just fine, but the
    fact that some tests failed bother me. Should I investigate it
    further and how? I'm not versed in QE code, I'm a humble user.

investigating further would be a good thing, but it is not easy: one has to figure out which piece of code fails, then why. Even if one succeeds, very often the problem is in the library itself and  there is nothing that can be done.

Frequent offenders are complex-valued routines (e.g. zdotc) that seem to follow two different incompatible conventions, but the symptom is a hard crash, not a wrong number.

Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222


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--
M.Sc. Tobias Klöffel
=======================================================
HPC (High Performance Computing) group
Erlangen Regional Computing Center(RRZE)
Friedrich-Alexander-Universität Erlangen-Nürnberg
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Room: 1.133
Phone: +49 (0) 9131 / 85 - 20101

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E-mail: tobias.kloef...@fau.de

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