[QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues

[Ye Luo]

Hi Brad,
1. Your output files differ. One says 'Writing output data file
./pwscf.save' one doesn't. Does one have I/O and one doesn't?
2. Your simulation so small and also you are running 16 MPI ranks, so
largely exercising MPI overhead. Run it a couple times and see if the
timing is reproducible. Does your machine have 16 physical cores or 8 cores
16 hyperthreads?
3. To validate it is actually a compiler regression, run with 1 MPI rank
and compare the timing.

Ye
===================
Ye Luo, Ph.D.
Computational Science Division & Leadership Computing Facility
Argonne National Laboratory


On Thu, Jun 3, 2021 at 3:36 PM Baer, Bradly <bradly.b.baer at vanderbilt.edu>
wrote:

> Hello Users,
>
> I have a working QE6.7 install built with Intel's Parallel Studios from
> 2020.  I want to compile the d3q code but I have found that my parallel
> studios license is expired, and I must switch to Intel's new OneAPI
> distribution to continue using ifort, icc etc.  I have configured
> everything in the same way as with the parallel studios version, including
> using the same make.inc file, but my parallel performance is very poor when
> using the OneAPI version.
>
> Attached are my make.inc file that I used for both compiles and an example
> output file  using pw.x compiled with parallel studios and OneAPI. The
> parallel studios calculation had a CPU//wall time of 5.89s//5.97s but the
> OneAPI version has almost a 50% performance loss and shows times of
> 5.92s//8.71s.  Both were made using the same inputs.
>
> Has anyone had experience compiling with the new OneAPI versions of
> things?  Have I missed some small but important change in how the libraries
> are linked now?
>
> Thanks,
> Brad
>
> --------------------------------------------------------
> Bradly Baer
> Graduate Research Assistant, Walker Lab
> Interdisciplinary Materials Science
> Vanderbilt University
>
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210603/ec641c89/attachment.html>