GPAW Benchmark - OpenBenchmarking.org

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.

* 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 updated weekly as of 27 September 2023.

Revision History

pts/gpaw-1.2.0 [View Source] Sun, 18 Jun 2023 09:51:08 GMT
Update against latest GPAW upstream.

pts/gpaw-1.1.0 [View Source] Tue, 18 Jan 2022 18:04:24 GMT
Update against GPAW 22.1 upstream.

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

Performance Metrics

GPAW 23.6

Input: Carbon Nanotube

OpenBenchmarking.org metrics for this test profile configuration based on 104 public results since 18 June 2023 with the latest data as of 22 September 2023.

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)

2 x AMD EPYC 9684X 96-Core

94th

21 ^{+/- 2}

2 x AMD EPYC 9754 128-Core

91st

21 ^{+/- 1}

2 x AMD EPYC 9554 64-Core

78th

Mid-Tier

75th

> 31

AMD EPYC 9684X 96-Core

70th

36 ^{+/- 2}

2 x AMD EPYC 7773X 64-Core

64th

2 x Intel Xeon Max 9480

61st

38 ^{+/- 4}

2 x Intel Xeon Max 9468

58th

41 ^{+/- 1}

2 x Intel Xeon Platinum 8380

51st

Median

50th

AMD Ryzen Threadripper 3990X 64-Core

31st

106

Low-Tier

25th

> 111

AMD Ryzen Threadripper 3970X 32-Core

25th

111

AMD Ryzen 9 7950X 16-Core

25th

139

Intel Core i9-13900K

18th

191 ^{+/- 2}

Intel Core i9-10980XE

16th

207

Intel Core i7-1185G7

10th

480 ^{+/- 2}

Intel Core i7-1280P

6th

516 ^{+/- 13}

AMD Ryzen 5 5500U

2nd

557 ^{+/- 2}

Based on OpenBenchmarking.org data, the selected test / test configuration (GPAW 23.6 - Input: Carbon Nanotube) has an average run-time of 3 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%.

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

Last automated analysis: 24 June 2023

This test profile binary relies on the shared libraries libm.so.6, libexpat.so.1, libz.so.1, libc.so.6.

Tested CPU Architectures

This benchmark has been successfully tested on the below mentioned architectures. The CPU architectures listed is where successful OpenBenchmarking.org result uploads occurred, namely for helping to determine if a given test is compatible with various alternative CPU architectures.

CPU Architecture

Kernel Identifier

Verified On

Intel / AMD x86 64-bit

x86_64

(Many Processors)

ARMv8 64-bit

aarch64

ARMv8 Neoverse-N1, ARMv8 Neoverse-V1

Amazon AWS Graviton3E vs. Graviton 2/3 benchmarks 5 Systems - 87 Benchmark Results	ARMv8 Neoverse-N1 - Amazon EC2 c6g.16xlarge - Amazon Device 0200 Ubuntu 22.04 - 5.19.0-1025-aws - GCC 11.3.0
xeon auggy 2 Systems - 150 Benchmark Results	2 x Intel Xeon Platinum 8380 - Intel M50CYP2SB2U - Intel Ice Lake IEH Ubuntu 22.10 - 6.2.0-rc5-phx-dodt - GNOME Shell 43.0
DL385_workstation_mixed_3trials_nogpu 1 System - 139 Benchmark Results	2 x AMD EPYC 9654 96-Core - HPE ProLiant DL385 Gen11 - AMD Device 14a4 Ubuntu 22.04 - 5.19.0-50-generic - GNOME Shell 42.9
DL385_Workstation_mixed_1trial_nogpu 1 System - 139 Benchmark Results	2 x AMD EPYC 9654 96-Core - HPE ProLiant DL385 Gen11 - AMD Device 14a4 Ubuntu 22.04 - 5.19.0-50-generic - GNOME Shell 42.9
AMD EPYC 9684X 3D V-Cache 1 System - 250 Benchmark Results	AMD EPYC 9684X 96-Core - AMD Titanite_4G - AMD Device 14a4 Ubuntu 22.04 - 5.19.0-41-generic - GNOME Shell 42.5
gp 1 System - 1 Benchmark Result	AMD EPYC 9254 24-Core - Supermicro H13SSL-N v1.01 - AMD Device 14a4 Ubuntu 22.04 - 4.18.0-425.19.2.el8_7.x86_64 - Xfce 4.16
gp 1 System - 1 Benchmark Result	2 x AMD EPYC 7473X 24-Core - ASUS KMPP-D32 - AMD Starship Ubuntu 22.04 - 4.18.0-425.3.1.el8.x86_64 - Xfce 4.16
new jult 2 Systems - 115 Benchmark Results	Intel Core i7-1185G7 - Dell 0DXP1F - Intel Tiger Lake-LP Ubuntu 22.04 - 5.19.0-40-generic - GNOME Shell 42.2
new jult 2 Systems - 115 Benchmark Results	Intel Core i7-1185G7 - Dell 0DXP1F - Intel Tiger Lake-LP Ubuntu 22.04 - 5.19.0-40-generic - GNOME Shell 42.2
dsd 3 Systems - 153 Benchmark Results	AMD Ryzen 5 5500U - NB01 NL5xNU - AMD Renoir Tuxedo 22.04 - 6.0.0-1010-oem - KDE Plasma 5.26.5
epyc 1 System - 88 Benchmark Results	2 x AMD EPYC 9654 96-Core - AMD Titanite_4G - AMD Device 14a4 Ubuntu 23.04 - 6.2.0-23-generic - GNOME Shell 44.0
june 3 Systems - 143 Benchmark Results	Intel Core i9-10980XE - ASRock X299 Steel Legend - Intel Sky Lake-E DMI3 Registers Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2
dddas 2 Systems - 234 Benchmark Results	AMD Ryzen Threadripper 3970X 32-Core - ASUS ROG ZENITH II EXTREME - AMD Starship Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2
dddas 2 Systems - 234 Benchmark Results	AMD Ryzen Threadripper 3970X 32-Core - ASUS ROG ZENITH II EXTREME - AMD Starship Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2
Amazon AWS 3 Systems - 91 Benchmark Results	ARMv8 Neoverse-V1 - Amazon EC2 c7g.16xlarge - Amazon Device 0200 Ubuntu 22.04 - 5.19.0-1025-aws - GCC 11.3.0

new wed 2 Systems - 115 Benchmark Results	2 x Intel Xeon Platinum 8490H - Quanta Cloud S6Q-MB-MPS - Intel Device 1bce Ubuntu 22.04 - 5.15.0-47-generic - GNOME Shell 42.4
Amazon AWS 2 Systems - 91 Benchmark Results	ARMv8 Neoverse-V1 - Amazon EC2 m7g.16xlarge - Amazon Device 0200 Ubuntu 22.04 - 5.19.0-1025-aws - GCC 11.3.0
Amazon AWS 3 Systems - 91 Benchmark Results	ARMv8 Neoverse-N1 - Amazon EC2 c6g.16xlarge - Amazon Device 0200 Ubuntu 22.04 - 5.19.0-1025-aws - GCC 11.3.0
ddds 2 Systems - 90 Benchmark Results	Intel Core i7-1280P - MSI MS-14C6 - Intel Alder Lake PCH Pop 22.04 - 6.2.6-76060206-generic - GNOME Shell 42.5
dddas 2 Systems - 234 Benchmark Results	AMD Ryzen Threadripper 3970X 32-Core - ASUS ROG ZENITH II EXTREME - AMD Starship Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2
new jult 2 Systems - 115 Benchmark Results	Intel Core i7-1185G7 - Dell 0DXP1F - Intel Tiger Lake-LP Ubuntu 22.04 - 5.19.0-40-generic - GNOME Shell 42.2
new jult 2 Systems - 115 Benchmark Results	Intel Core i7-1185G7 - Dell 0DXP1F - Intel Tiger Lake-LP Ubuntu 22.04 - 5.19.0-40-generic - GNOME Shell 42.2
sun 3 Systems - 42 Benchmark Results	AMD Ryzen 9 7950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 23.04 - 6.2.0-20-generic - GNOME Shell 44.1
new sun 3 Systems - 42 Benchmark Results	AMD Ryzen Threadripper 3990X 64-Core - Gigabyte TRX40 AORUS PRO WIFI - AMD Starship Ubuntu 23.04 - 6.2.0-20-generic - GNOME Shell 44.0
dddas 2 Systems - 234 Benchmark Results	AMD Ryzen Threadripper 3970X 32-Core - ASUS ROG ZENITH II EXTREME - AMD Starship Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2
saa 4 Systems - 42 Benchmark Results	Intel Core i9-13900K - ASUS PRIME Z790-P WIFI - Intel Device 7a27 Ubuntu 23.04 - 6.2.0-20-generic - GNOME Shell 44.0
dsd 3 Systems - 153 Benchmark Results	AMD Ryzen 5 5500U - NB01 NL5xNU - AMD Renoir Tuxedo 22.04 - 6.0.0-1010-oem - KDE Plasma 5.26.5
new wed 2 Systems - 115 Benchmark Results	2 x Intel Xeon Platinum 8490H - Quanta Cloud S6Q-MB-MPS - Intel Device 1bce Ubuntu 22.04 - 5.15.0-47-generic - GNOME Shell 42.4
ddds 2 Systems - 90 Benchmark Results	Intel Core i7-1280P - MSI MS-14C6 - Intel Alder Lake PCH Pop 22.04 - 6.2.6-76060206-generic - GNOME Shell 42.5
june 3 Systems - 143 Benchmark Results	Intel Core i9-10980XE - ASRock X299 Steel Legend - Intel Sky Lake-E DMI3 Registers Ubuntu 22.04 - 5.19.0-051900rc7-generic - GNOME Shell 42.2

GPAW

Project Site

Source Repository

Test Created

Last Updated

Test Maintainer

Test Type

Average Install Time

Average Run Time

Test Dependencies

Accolades

Supported Platforms

Revision History

Suites Using This Test

Performance Metrics

GPAW 23.6

Input: Carbon Nanotube

Notable Instruction Set Usage

Tested CPU Architectures

Recent Test Results

Most Popular Test Results