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

[Baer, Bradly]

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


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