[QE-users] Optimizing QE Install

[Robert Stanton]

Dear all,

     I am able to successfully install parallel QE and get everything to
run smoothly, however after testing against an install on an externally
maintained cluster I'm finding my speed to be slower by a factor of 5-10x
when keeping the system, core number, QE version, etc. the same.

    I'm not sure the degree to which this could be a hardware discrepancy
(Xeon Silvers vs new EPYCs), v.s. how much could be a sub-optimal
compilation of QE. The slower QE install is being done with blas/lapack
3.8.0 and openmpi 1.10.7. I'm just curious if there is anything very
clearly not ideal about this environment, or if it is likely something I'll
just need to troubleshoot with smaller settings? Thanks so much in advance
for any insights you can provide!

Regards,
Robert Stanton
Graduate Student
Clarkson University
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