GPAW

GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE).

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

Project Site

wiki.fysik.dtu.dk

Test Created

19 September 2020

Test Maintainer

Michael Larabel

Test Type

System

Average Install Time

49 Seconds

Average Run Time

24 Minutes, 29 Seconds

Test Dependencies

OpenMPI + FFTW + CMake + C/C++ Compiler Toolchain + Python Numpy + Python + Python Scipy + BLAS (Basic Linear Algebra Sub-Routine)

Supported Platforms

* 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 June 2021.

Revision History

pts/gpaw-1.0.0 [View Source] Sat, 19 Sep 2020 09:25:55 GMT
Initial commit of GPAW>

Suites Using This Test

Scientific Computing

HPC - High Performance Computing

MPI Benchmarks

Quantum Mechanics

Performance Metrics

Analyze Test Configuration:

GPAW 20.1

Input: Carbon Nanotube

OpenBenchmarking.org metrics for this test profile configuration based on 338 public results since 19 September 2020 with the latest data as of 27 April 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)

Ampere Altra ARMv8 Neoverse-N1 160-Core

99th

49 ^{+/- 2}

2 x AMD EPYC 7763 64-Core

98th

2 x AMD EPYC 7742 64-Core

97th

2 x AMD EPYC 7713 64-Core

95th

2 x AMD EPYC 7F72 24-Core

91st

2 x Intel Xeon Platinum 8280

90th

2 x AMD EPYC 7F52 16-Core

87th

2 x AMD EPYC 75F3 32-Core

86th

67 ^{+/- 1}

AMD EPYC 7662 64-Core

85th

AMD EPYC 7742 64-Core

85th

AMD EPYC 7642 48-Core

81st

80 ^{+/- 1}

AMD EPYC 7702 64-Core

81st

AMD EPYC 7763 64-Core

78th

84 ^{+/- 1}

2 x AMD EPYC 7601 32-Core

77th

86 ^{+/- 2}

Mid-Tier

75th

> 87

AMD EPYC 7552 48-Core

75th

AMD EPYC 7713 64-Core

74th

92 ^{+/- 1}

AMD EPYC 7532 32-Core

73rd

2 x Intel Xeon Gold 5220R

71st

99 ^{+/- 3}

AMD EPYC 75F3 32-Core

70th

101 ^{+/- 1}

AMD EPYC 7542 32-Core

68th

103

AMD EPYC 7F72 24-Core

68th

103 ^{+/- 3}

AMD EPYC 7502P 32-Core

66th

106

Intel Xeon Gold 6258R

65th

107

Intel Xeon Platinum 8280

64th

108 ^{+/- 1}

AMD Ryzen Threadripper 3990X 64-Core

63rd

110

2 x AMD EPYC 7272 12-Core

61st

113 ^{+/- 1}

AMD EPYC 7402P 24-Core

58th

117 ^{+/- 1}

AMD EPYC 7302P 16-Core

57th

139

AMD EPYC 7601 32-Core

55th

146 ^{+/- 3}

AMD Ryzen Threadripper 3960X 24-Core

54th

150

Intel Xeon Gold 5220R

53rd

171

Median

50th

178

Intel Core i9-7980XE

50th

178

AMD EPYC 7282 16-Core

50th

179 ^{+/- 1}

AMD EPYC 7F32 8-Core

48th

202 ^{+/- 2}

AMD EPYC 7272 12-Core

45th

206 ^{+/- 1}

AMD Ryzen Threadripper 2970WX 24-Core

43rd

222 ^{+/- 7}

AMD Ryzen Threadripper 2950X 16-Core

43rd

228 ^{+/- 1}

AMD EPYC 7551 32-Core

42nd

245 ^{+/- 1}

Intel Core i7-7900X

41st

250

AMD EPYC 7232P 8-Core

39th

272 ^{+/- 1}

Intel Core i9-9900KS

38th

309

AMD Ryzen 9 3900X 12-Core

36th

311 ^{+/- 1}

AMD Ryzen 9 3900XT 12-Core

35th

313 ^{+/- 9}

AMD Ryzen 9 3950X 16-Core

35th

316 ^{+/- 2}

AMD Ryzen 9 5950X 16-Core

32nd

327 ^{+/- 1}

AMD Ryzen 9 5900X 12-Core

28th

339 ^{+/- 24}

Intel Xeon E5-2687W v3

27th

363 ^{+/- 38}

AMD Ryzen 7 3800XT 8-Core

27th

374 ^{+/- 16}

Low-Tier

25th

> 390

Intel Core i7-8700K

25th

390

AMD Ryzen 5 3600XT 6-Core

24th

398

Intel Core i7-6800K

22nd

436

Intel Core i7-9750H

19th

471 ^{+/- 2}

AMD Ryzen 7 2700X Eight-Core

19th

472 ^{+/- 2}

AMD Ryzen 7 2700 Eight-Core

18th

474 ^{+/- 4}

Intel Core i7-7700K

16th

486 ^{+/- 1}

Intel Core i5-9400F

15th

512 ^{+/- 3}

AMD Ryzen 7 1700 Eight-Core

14th

517 ^{+/- 2}

Intel Xeon E5-2609 v4

14th

535

Intel Xeon E3-1275 v6

12th

544 ^{+/- 1}

Intel Core i5-10600K

12th

575 ^{+/- 1}

Intel Xeon E3-1245 v5

10th

599 ^{+/- 3}

Intel Xeon E3-1280 v5

9th

603 ^{+/- 1}

Intel Core i7-1065G7

7th

716 ^{+/- 1}

AMD Ryzen 5 3400G

6th

737 ^{+/- 7}

Intel Core i7-4790K

6th

794 ^{+/- 70}

Intel Core i7-6700HQ

6th

802 ^{+/- 1}

AMD Ryzen 5 4500U

3rd

868 ^{+/- 3}

Intel Core i3-10100

2nd

993

Based on OpenBenchmarking.org data, the selected test / test configuration (GPAW 20.1 - Input: Carbon Nanotube) has an average run-time of 13 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.

Based on public OpenBenchmarking.org results, the selected test / test configuration has an average standard deviation of 0.1%.

Does It Scale Well With Increasing Cores?

Yes, based on the automated analysis of the collected public benchmark data, this test / test settings does generally scale well with increasing CPU core counts. Data based on publicly available results for this test / test settings, separated by vendor, result divided by the reference CPU clock speed, grouped by matching physical CPU core count, and normalized against the smallest core count tested from each vendor for each CPU having a sufficient number of test samples and statistically significant data.

Notable Instruction Set Usage

Notable instruction set extensions supported by this test, based on an automatic analysis by the Phoronix Test Suite / OpenBenchmarking.org analytics engine.

Instruction Set

Support

Instructions Detected

SSE2 (SSE2)

Used by default on supported hardware.

MOVDQA MOVDQU PUNPCKLQDQ CVTSS2SD UCOMISD CVTSD2SS MULSD ADDSD CVTSI2SD MOVD PUNPCKHQDQ PSUBQ XORPD COMISD MOVAPD DIVSD SUBSD CVTTSD2SI SHUFPD UNPCKLPD ANDPD ORPD ANDNPD SUBPD ADDPD UNPCKHPD MULPD PADDQ PSRLDQ SQRTSD CMPNLESD MINSD MAXSD MOVMSKPD MOVUPD CMPLTSD DIVPD

Last automated analysis: 30 January 2021

This test profile binary relies on the shared libraries libpthread.so.0, libdl.so.2, libutil.so.1, libm.so.6, libexpat.so.1, libz.so.1, libc.so.6.

Ubuntu Comparison AMD EPYC 7763 1 System - 136 Benchmark Results	AMD EPYC 7763 64-Core - Supermicro H12SSL-i v1.01 - AMD Starship Ubuntu 20.04 - 5.4.0-72-generic - GNOME Shell 3.36.7
AMD EPYC 7003 Linux Benchmarks 26 Systems - 438 Benchmark Results	2 x AMD EPYC 7F52 16-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.04 - 5.11.0-051100rc6daily20210201-generic - GNOME Shell 3.36.4
AMD EPYC 7003 Linux Benchmarks 25 Systems - 438 Benchmark Results	2 x AMD EPYC 75F3 32-Core - AMD DAYTONA_X - AMD Starship Ubuntu 20.04 - 5.11.0-051100rc6daily20210201-generic - GNOME Shell 3.36.4
20210324-scicomp 1 System - 38 Benchmark Results	Intel Core i7-5775C - ASUS Z97I-PLUS - Intel Broadwell-U DMI Ubuntu 20.04 - 5.4.0-67-generic - OpenCL 2.0 beignet 1.3
AMD EPYC 7003 Linux Benchmarks 24 Systems - 333 Benchmark Results	2 x AMD EPYC 7763 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 20.04 - 5.11.0-051100rc6daily20210201-generic - GNOME Shell 3.36.4
AMD EPYC 7003 Linux Benchmarks 24 Systems - 307 Benchmark Results	AMD EPYC 7542 32-Core - ASRockRack EPYCD8 - AMD Starship Ubuntu 20.04 - 5.11.0-051100rc6daily20210201-generic - GNOME Shell 3.36.4
mpi_benchmark 1 System - 20 Benchmark Results	2 x Intel Xeon E5645 - ASUS Z8P - Intel 5520 I Ubuntu 20.04 - 5.8.0-44-generic - KDE Frameworks 5.68.0
aaaltra 1 System - 358 Benchmark Results	Ampere Altra ARMv8 Neoverse-N1 - WIWYNN Mt.Jade - Ampere Computing LLC Device e100 Ubuntu 20.04 - 5.11.0-051100-generic-64k - GNOME Shell 3.36.4
20210128 hpc suite 1 System - 241 Benchmark Results	AMD Ryzen 7 3700X 8-Core - ASRock X570 Phantom Gaming-ITX/TB3 - AMD Starship Ubuntu 20.10 - 5.8.0-41-lowlatency - X Server 1.20.9
AMD EPYC 7F72 2P Linux 5.11 - Perf Governor Featured Monitor Comparison	VE228
AMD EPYC 7F72 2P Linux 5.11 Perf Governor 3 Systems - 376 Benchmark Results	2 x AMD EPYC 7F72 24-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.10 - 5.11.0-rc4-max-boost-inv-patch - GNOME Shell 3.38.1
AMD Ryzen 9 5950X Linux 5.11 Schedutil vs. Performance 2 Systems - 220 Benchmark Results	AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.11.0-rc4-max-boost-inv-patch - GNOME Shell 3.38.1

Core i9 10900K - Ubuntu 20.04 LTS vs. Ubuntu 20.10 2 Systems - 403 Benchmark Results	Intel Core i9-10900K - Gigabyte Z490 AORUS MASTER - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-22-generic - GNOME Shell 3.38.0
Ryzen 9 3900XT Ubuntu 20.04 LTS vs. Ubuntu 20.10 3 Systems - 406 Benchmark Results	AMD Ryzen 9 3900XT 12-Core - MSI MEG X570 GODLIKE - AMD Starship Ubuntu 20.04 - 5.4.0-48-generic - GNOME Shell 3.36.4
AMD EPYC 7F72 2P Linux 5.11 3 Systems - 376 Benchmark Results	2 x AMD EPYC 7F72 24-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.10 - 5.10.9-051009-generic - GNOME Shell 3.38.1
AMD EPYC 7003 Linux Benchmarks 26 Systems - 438 Benchmark Results	2 x AMD EPYC 7742 64-Core - Supermicro H11DSi-NT v2.00 - AMD Starship Ubuntu 20.04 - 5.11.0-051100rc6daily20210201-generic - GNOME Shell 3.36.4
Core i5 10600K October 3 Systems - 131 Benchmark Results	Intel Core i5-10600K - ASUS PRIME Z490M-PLUS - Intel Comet Lake PCH Ubuntu 20.04 - 5.8.14-050814-generic - GNOME Shell 3.36.4
7700K Intel 2020 3 Systems - 202 Benchmark Results	Intel Core i7-7700K - MSI Z270-A PRO - Intel Xeon E3-1200 v6 Ubuntu 20.04 - 5.4.0-28-generic - GNOME Shell 3.36.1
System76 Thelio Major 3990X Pop OS 2 Systems - 297 Benchmark Results	AMD Ryzen Threadripper 3990X 64-Core - System76 Thelio Major - AMD Starship Pop 20.10 - 5.8.0-7625-generic - GNOME Shell 3.38.1
AMD Ryzen 9 5950X Linux 5.11 Featured Kernel Comparison	AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.10.9-051009-generic - GNOME Shell 3.38.1
TR 3990X Okt 3 Systems - 100 Benchmark Results	AMD Ryzen Threadripper 3990X 64-Core - System76 Thelio Major - AMD Starship Ubuntu 20.04 - 5.4.0-47-generic - GNOME Shell 3.36.4
Xeon E3-1245 v5 Ubuntu Linux 5.4 3 Systems - 138 Benchmark Results	Intel Xeon E3-1245 v5 - MSI C236A WORKSTATION - Intel Xeon E3-1200 v5 Ubuntu 20.04 - 5.8.13-050813-generic - GNOME Shell 3.36.2
Core i3 10100 Okt Featured Kernel Comparison	Intel Core i3-10100 - Gigabyte B460M DS3H - Intel Device 9b63 Ubuntu 20.04 - 5.9.0-050900rc7daily20201002-generic - GNOME Shell 3.36.3
Core i7 4790K Haswell Intel Linux 3 Systems - 197 Benchmark Results	Intel Core i7-4790K - Gigabyte Z97-HD3P - Intel 4th Gen Core DRAM Ubuntu 19.10 - 5.8.14-050814-generic - GNOME Shell 3.34.1

GPAW

Project Site

Test Created

Test Maintainer

Test Type

Average Install Time

Average Run Time

Test Dependencies

Supported Platforms

Revision History

Suites Using This Test

Performance Metrics

GPAW 20.1

Input: Carbon Nanotube

Does It Scale Well With Increasing Cores?

Notable Instruction Set Usage

Recent Test Results

Most Popular Test Results