This time OneAPI runs faster. The ifort in OneAPI should be very similar to the one in previous parallel studio releases. I think the performance difference is from your machine. Neither QE nor the compiler plays anything here. Ye =================== Ye Luo, Ph.D. Computational Science Division & Leadership Computing Facility Argonne National Laboratory
On Thu, Jun 3, 2021 at 4:46 PM Baer, Bradly <[email protected]> wrote: > Hello, > > 1) Ah, I did not notice that. I generally suppress I/O for test jobs but > one I did a followup phonon calculation to test timings on that so I/O was > turned on. The timing difference persists regardless of the I/O and also > persisted into the phonon calculation (1hr//1.5hr roughly) > > 2) I have run it multiple times and timing is reproducible. Timing issue > exists in ph.x as well as mentioned above. I have 16 physical cores and 32 > hyperthreads. > > 3) I have run with mpirun -np 1 which is what I think 1 MPI rank means. > The cpu/wall timings are much more consistent, but I must confess that I am > not experienced enough to understand what this result indicates is causing > my issue. > > Thanks, > Brad > > -------------------------------------------------------- > Bradly Baer > Graduate Research Assistant, Walker Lab > Interdisciplinary Materials Science > Vanderbilt University > > > ------------------------------ > *From:* users <[email protected]> on behalf of Ye > Luo <[email protected]> > *Sent:* Thursday, June 3, 2021 4:22 PM > *To:* Quantum ESPRESSO users Forum <[email protected]> > *Subject:* Re: [QE-users] Compiling with Intel's OneAPI - Parallel > Performance Issues > > 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 <[email protected]> > 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 > <https://nam04.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.max-centre.eu%2F&data=04%7C01%7Cbradly.b.baer%40vanderbilt.edu%7Cebb26f1903cc4b988a4c08d926d5b9a4%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C1%7C637583521651058549%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=VC%2B7hzIdNUfdKmK33zLvgMlJ054sVVnG8PMDknhuHxA%3D&reserved=0> > ) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > <https://nam04.safelinks.protection.outlook.com/?url=https%3A%2F%2Flists.quantum-espresso.org%2Fmailman%2Flistinfo%2Fusers&data=04%7C01%7Cbradly.b.baer%40vanderbilt.edu%7Cebb26f1903cc4b988a4c08d926d5b9a4%7Cba5a7f39e3be4ab3b45067fa80faecad%7C0%7C1%7C637583521651068545%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C2000&sdata=itDrMarLfOmf7HCGKhnuMIPbOofSV6gPIys%2BqJxxE%2Bo%3D&reserved=0> > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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