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

2021-06-03 Thread Baer, Bradly
From: users on behalf of Ye Luo Sent: Thursday, June 3, 2021 5:18 PM To: Quantum ESPRESSO users Forum Subject: Re: [QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues I mean there seem to be not OneAPI/parallel studio related and not QE-related factors which may

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

2021-06-03 Thread Ye Luo
terdisciplinary Materials Science > Vanderbilt University > > > -- > *From:* users on behalf of Ye > Luo > *Sent:* Thursday, June 3, 2021 4:58 PM > *To:* Quantum ESPRESSO users Forum > *Subject:* Re: [QE-users] Compiling with Intel'

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

2021-06-03 Thread Baer, Bradly
presso.org>> on behalf of Ye Luo mailto:xw111lu...@gmail.com>> Sent: Thursday, June 3, 2021 4:22 PM To: Quantum ESPRESSO users Forum mailto:users@lists.quantum-espresso.org>> Subject: Re: [QE-users] Compiling with Intel's OneAPI - Parallel Performance Issues Hi Brad, 1. Your output fil

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

2021-06-03 Thread Ye Luo
; *Sent:* Thursday, June 3, 2021 4:22 PM > *To:* Quantum ESPRESSO users Forum > *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. D

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

2021-06-03 Thread Baer, Bradly
From: users on behalf of Ye Luo Sent: Thursday, June 3, 2021 4:22 PM To: Quantum ESPRESSO users Forum 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

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

2021-06-03 Thread 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.

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

2021-06-03 Thread 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