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.b...@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@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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