The GROMACS (GROningen MAchine for Chemical Simulations) molecular dynamics package testing with the water_GMX50 data. This system/gromacs test profile relies on the OS provided GROMACS (gmx_mpi) package as opposed to the existing pts/gromacs test profile that builds the same version from the upstream source code.
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark system/gromacs.
OpenBenchmarking.org metrics for this test profile configuration based on 128 public results since 2 August 2024 with the latest data as of 30 September 2024.
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.
Based on OpenBenchmarking.org data, the selected test / test configuration (GROMACS - Input: water_GMX50_bare) has an average run-time of 11 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.
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.
2 Systems - 54 Benchmark Results |
Intel Core Ultra 7 256V - ASUS Zenbook S 14 UX5406SA_UX5406SA UX5406SA v1.0 - Intel Device a87f Ubuntu 24.10 - 6.11.0-phx - GNOME Shell 47.0 |
2 Systems - 137 Benchmark Results |
AMD Ryzen 5 9600X 6-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 24.04 - 6.10.0-phx - GNOME Shell 46.0 |
3 Systems - 120 Benchmark Results |
2 x AMD EPYC 7773X 64-Core - AMD DAYTONA_X - AMD Starship Ubuntu 24.04 - 6.8.0-41-generic - GNOME Shell 46.0 |
4 Systems - 116 Benchmark Results |
2 x AMD EPYC 7303 16-Core - AMD DAYTONA_X - AMD Starship Ubuntu 24.04 - 6.8.0-31-generic - GNOME Shell 46.0 |
Featured Processor Comparison |
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2 Systems - 81 Benchmark Results |
ARMv8 Neoverse-V2 - Amazon EC2 r8g.48xlarge - Amazon Device 0200 Ubuntu 24.04 - 6.8.0-41-generic-64k - GCC 13.2.0 |
4 Systems - 40 Benchmark Results |
ARMv8 Neoverse-N1 - GIGABYTE G242-P36-00 MP32-AR2-00 v01000100 - Ampere Computing LLC Altra PCI Root Complex A Ubuntu 24.04 - 6.8.0-11-generic - GCC 13.2.0 |
1 System - 84 Benchmark Results |
AMD Ryzen 7 5800X3D 8-Core - MSI X370 XPOWER GAMING TITANIUM - AMD Starship Debian 12 - 6.1.0-22-amd64 - X Server 1.20.11 |
2 Systems - 62 Benchmark Results |
AMD Ryzen 7 3800XT 8-Core - MSI X370 XPOWER GAMING TITANIUM - AMD Starship Debian 12 - 6.1.0-22-amd64 - X Server 1.20.11 |
2 Systems - 62 Benchmark Results |
AMD Ryzen 7 3800XT 8-Core - MSI X370 XPOWER GAMING TITANIUM - AMD Starship Debian 12 - 6.1.0-22-amd64 - X Server 1.20.11 |
1 System - 102 Benchmark Results |
AMD Ryzen 9 9950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 24.04 - 6.10.0-phx - GNOME Shell 46.0 |
3 Systems - 34 Benchmark Results |
Intel Core Ultra 7 155H - Framework Laptop 13 - Intel Device 7e7f Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
4 Systems - 54 Benchmark Results |
AMD Ryzen 7 7840HS - Framework Laptop 16 - AMD Device 14e8 Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
3 Systems - 35 Benchmark Results |
AMD Ryzen 7 PRO 6850U - LENOVO ThinkPad X13 Gen 3 21CM0001US - AMD 17h-19h PCIe Root Complex Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
4 Systems - 25 Benchmark Results |
Intel Core i7-1185G7 - Dell XPS 13 9310 0DXP1F - Intel Tiger Lake-LP Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
3 Systems - 25 Benchmark Results |
AMD Ryzen 9 5900HX - ASUS ROG Strix G513QY_G513QY G513QY v1.0 - AMD Renoir Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
3 Systems - 15 Benchmark Results |
AMD Ryzen Threadripper 7980X 64-Cores - System76 Thelio Major - AMD Device 14a4 Ubuntu 24.04 - 6.10.0-061000daily20240725-generic - GNOME Shell 46.0 |
Featured Processor Comparison |
Intel Core i5-13400 - ASUS PRIME Z790-P WIFI - Intel Raptor Lake-S PCH Ubuntu 24.04 - 6.10.0-061000rc6daily20240706-generic - GNOME Shell 46.0 |
3 Systems - 25 Benchmark Results |
Intel Core Ultra 7 155H - MTL Swift SFG14-72T Coral_MTH - Intel Device 7e7f Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
3 Systems - 20 Benchmark Results |
AMD Ryzen AI 9 HX 370 - ASUS Zenbook S 16 UM5606WA_UM5606WA UM5606WA v1.0 - AMD Device 1507 Ubuntu 24.04 - 6.10.0-phx - GNOME Shell 46.0 |
2 Systems - 62 Benchmark Results |
AMD Ryzen 7 3800XT 8-Core - MSI X370 XPOWER GAMING TITANIUM - AMD Starship Debian 12 - 6.1.0-22-amd64 - X Server 1.20.11 |
2 Systems - 62 Benchmark Results |
AMD Ryzen 7 3800XT 8-Core - MSI X370 XPOWER GAMING TITANIUM - AMD Starship Debian 12 - 6.1.0-22-amd64 - X Server 1.20.11 |
3 Systems - 15 Benchmark Results |
AMD Ryzen AI 9 365 - ASUS Zenbook S 16 UM5606WA_UM5606WA UM5606WA v1.0 - AMD Device 1507 Ubuntu 24.04 - 6.10.0-phx - GNOME Shell 46.0 |
3 Systems - 34 Benchmark Results |
Intel Core Ultra 7 155H - Framework Laptop 13 - Intel Device 7e7f Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
Featured Processor Comparison |
AMD EPYC 8534PN 64-Core - AMD Cinnabar - AMD Device 14a4 Ubuntu 23.10 - 6.5.0-44-generic - GCC 13.2.0 |
2 Systems - 105 Benchmark Results |
Intel Core i7-1165G7 - Dell XPS 13 9310 0GG9PT - Intel Tiger Lake-LP Ubuntu 23.10 - 6.5.0-28-generic - GNOME Shell 45.0 |
2 Systems - 27 Benchmark Results |
Intel Core i7-1280P - MSI Prestige 14Evo A12M MS-14C6 - Intel Alder Lake PCH Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
Featured Memory Comparison |
AMD Ryzen 9 9950X 16-Core - ASUS ROG STRIX X670E-E GAMING WIFI - AMD Device 14d8 Ubuntu 24.04 - 6.10.0-phx - GNOME Shell 46.0 |
2 Systems - 35 Benchmark Results |
AMD Ryzen 7 PRO 5850U - LENOVO ThinkPad T14s Gen 2a 20XF004WUS - AMD Renoir Ubuntu 24.04 - 6.10.0-061000rc4daily20240621-generic - GNOME Shell 46.0 |
4 Systems - 40 Benchmark Results |
ARMv8 Neoverse-N1 - GIGABYTE G242-P36-00 MP32-AR2-00 v01000100 - Ampere Computing LLC Altra PCI Root Complex A Ubuntu 24.04 - 6.8.0-11-generic - GCC 13.2.0 |