Quantum ESPRESSO Benchmark - OpenBenchmarking.org

Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.

To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark qe.

* Uploading of benchmark result data to OpenBenchmarking.org is always optional (opt-in) via the Phoronix Test Suite for users wishing to share their results publicly.
** Data based on those opting to upload their test results to OpenBenchmarking.org and users enabling the opt-in anonymous statistics reporting while running benchmarks from an Internet-connected platform.
*** Test profile page view reporting began March 2021.
Data current as of 15 September 2021.

Revision History

pts/qe-1.2.0 [View Source] Thu, 29 Jul 2021 13:34:02 GMT
Set OMP_NUM_THREADS to CPU_THREADS_PER_CORE to avoid possibly over burdening the system.

pts/qe-1.1.0 [View Source] Fri, 23 Jul 2021 13:52:59 GMT
Update against Quantum Espress 6.8 upstream new release.

pts/qe-1.0.2 [View Source] Tue, 12 Jan 2021 10:29:10 GMT
Parser fix for long running tests.

pts/qe-1.0.1 [View Source] Sun, 10 Jan 2021 06:05:59 GMT
Result parser fix for odd situations.

pts/qe-1.0.0 [View Source] Sat, 09 Jan 2021 16:45:16 GMT
Initial commit of Quantum Espresso.

Performance Metrics

Quantum ESPRESSO 6.8

Input: AUSURF112

OpenBenchmarking.org metrics for this test profile configuration based on 138 public results since 29 July 2021 with the latest data as of 14 September 2021.

Below is an overview of the generalized performance for components where there is sufficient statistically significant data based upon user-uploaded results. It is important to keep in mind particularly in the Linux/open-source space there can be vastly different OS configurations, with this overview intended to offer just general guidance as to the performance expectations.

Component

Percentile Rank

# Compatible Public Results

Seconds (Average)

AMD Ryzen Threadripper 3970X 32-Core

98th

303 ^{+/- 3}

AMD EPYC 7543 32-Core

89th

327 ^{+/- 2}

2 x Intel Xeon Platinum 8280

81st

335 ^{+/- 4}

2 x AMD EPYC 7763 64-Core

81st

340 ^{+/- 41}

AMD Ryzen Threadripper 3990X 64-Core

79th

341 ^{+/- 1}

Mid-Tier

75th

> 362

AMD Ryzen Threadripper 3960X 24-Core

75th

362 ^{+/- 1}

Intel Core i9-10980XE

64th

467 ^{+/- 1}

Ampere Altra ARMv8 Neoverse-N1 160-Core

62nd

476 ^{+/- 61}

AMD Ryzen 9 5900X 12-Core

61st

486 ^{+/- 1}

AMD Ryzen 9 3900XT 12-Core

58th

538 ^{+/- 6}

2 x Intel Xeon Platinum 8380

53rd

562 ^{+/- 3}

AMD Ryzen 9 3950X 16-Core

53rd

564 ^{+/- 6}

Median

50th

586

AMD Ryzen 7 3800XT 8-Core

49th

689 ^{+/- 3}

Intel Xeon E-2288G

46th

781 ^{+/- 9}

AMD Ryzen 9 5950X 16-Core

43rd

807 ^{+/- 1}

AMD Ryzen 9 5900HX

40th

947 ^{+/- 8}

Intel Core i7-10700T

36th

1154 ^{+/- 10}

Intel Xeon E3-1275 v6

36th

1160 ^{+/- 8}

AMD Ryzen 7 4700U

32nd

1249 ^{+/- 21}

Intel Xeon E3-1280 v5

32nd

1250 ^{+/- 5}

AMD Ryzen 5 4500U

29th

1283 ^{+/- 21}

Intel Core i9-10900K

26th

1352 ^{+/- 1}

Low-Tier

25th

> 1353

AMD Ryzen 7 2700 Eight-Core

24th

1358 ^{+/- 2}

AMD Ryzen 5 5600X 6-Core

22nd

1379 ^{+/- 1}

Intel Core i9-11900K

19th

1505 ^{+/- 8}

Intel Xeon Silver 4216

14th

1691 ^{+/- 26}

Intel Core i7-8565U

11th

2026 ^{+/- 74}

Intel Core i5-10600K

10th

2062 ^{+/- 9}

Intel Core i7-1065G7

6th

2134 ^{+/- 44}

Intel Core i7-1165G7

3rd

4375 ^{+/- 41}

Based on OpenBenchmarking.org data, the selected test / test configuration (Quantum ESPRESSO 6.8 - Input: AUSURF112) has an average run-time of 23 minutes. By default this test profile is set to run at least 3 times but may increase if the standard deviation exceeds pre-defined defaults or other calculations deem additional runs necessary for greater statistical accuracy of the result.

Xeon Gold September 3 Systems - 170 Benchmark Results	Intel Xeon Gold 6226R - Supermicro X11SPL-F v1.02 - Intel Sky Lake-E DMI3 Registers Ubuntu 20.10 - 5.11.0-rc4-max-boost-inv-patch - GNOME Shell 3.38.1
Xeon Platinum 8280 2P September 5 Systems - 186 Benchmark Results	2 x Intel Xeon Platinum 8280 - GIGABYTE MD61-SC2-00 v01000100 - Intel Sky Lake-E DMI3 Registers Ubuntu 21.04 - 5.11.0-16-generic - GNOME Shell 3.38.4
Ampere Altra September 2021 1 System - 102 Benchmark Results	Ampere Altra ARMv8 Neoverse-N1 - WIWYNN Mt.Jade - Ampere Computing LLC Altra PCI Root Complex A Ubuntu 21.04 - 5.11.0-25-generic - 1.0.2
2700 august 4 Systems - 56 Benchmark Results	AMD Ryzen 7 2700 Eight-Core - Gigabyte AB350N-Gaming WIFI-CF - AMD 17h Ubuntu 19.10 - 5.9.0-050900rc7daily20201004-generic - GNOME Shell 3.34.1
Initial Intel Xeon Platinum 8380 2P Benchmarks 11 Systems - 260 Benchmark Results	2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 20.04 - 5.11.0-051100-generic - GNOME Shell 3.36.4
epyc-7763-august 3 Systems - 55 Benchmark Results	2 x AMD EPYC 7763 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 20.10 - 5.8.0-29-generic - X Server 1.20.8
Initial Intel Xeon Platinum 8380 2P Benchmarks 10 Systems - 259 Benchmark Results	AMD EPYC 7763 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 20.04 - 5.11.0-051100rc6daily20210201-generic - GNOME Shell 3.36.4
3900XT August 4 Systems - 63 Benchmark Results	AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 20.10 - 5.11.0-rc1-phx - GNOME Shell 3.38.1
epyc-7763-2p-august 5 Systems - 34 Benchmark Results	2 x AMD EPYC 7763 64-Core - AMD DAYTONA_X - AMD Starship Debian 11 - 5.10.0-8-amd64 - GNOME Shell 3.38.4
5800X August 1 System - 105 Benchmark Results	AMD Ryzen 7 5800X 8-Core - ASRock X570 Pro4 - AMD Starship Ubuntu 20.10 - 5.12.0-rc5-nopsf - GNOME Shell 3.38.1
8380 2P August 5 Systems - 27 Benchmark Results	2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Device 0998 Ubuntu 20.04 - 5.14.0-rc1-folio - GNOME Shell 3.36.4
tyan august 4 Systems - 8 Benchmark Results	AMD EPYC 7543 32-Core - TYAN S8036GM2NE-LE - AMD Starship Ubuntu 21.04 - 5.11.0-25-generic - GNOME Shell 3.38.4
august 5950X 3 Systems - 10 Benchmark Results	AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.04 - 5.14.0-rc1-clang-lto - GNOME Shell 3.36.9
3950X July 3 Systems - 89 Benchmark Results	AMD Ryzen 9 3950X 16-Core - ASUS ROG CROSSHAIR VII HERO - AMD Starship Ubuntu 20.04 - 5.9.0-050900rc6daily20200922-generic - GNOME Shell 3.36.4
5600x july 3 Systems - 72 Benchmark Results	AMD Ryzen 5 5600X 6-Core - ASUS TUF GAMING B550M-PLUS - AMD Starship Ubuntu 20.10 - 5.8.0-50-generic - GNOME Shell 3.38.1

Quantum ESPRESSO

Project Site

Source Repository

Test Created

Last Updated

Test Maintainer

Test Type

Average Install Time

Average Run Time

Test Dependencies

Supported Platforms

Revision History

Suites Using This Test

Scientific Computing

HPC - High Performance Computing

Quantum Mechanics

Performance Metrics

Quantum ESPRESSO 6.8

Input: AUSURF112

Recent Test Results

Compare

Xeon Gold September

Xeon Platinum 8280 2P September

Ampere Altra September 2021

2700 august

Initial Intel Xeon Platinum 8380 2P Benchmarks

epyc-7763-august

Initial Intel Xeon Platinum 8380 2P Benchmarks

3900XT August

epyc-7763-2p-august

5800X August

8380 2P August

tyan august

august 5950X

3950X July

5600x july

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