The GROMACS (GROningen MAchine for Chemical Simulations) molecular dynamics package testing on the CPU with the water_GMX50 data.
To run this test with the Phoronix Test Suite, the basic command is: phoronix-test-suite benchmark gromacs.
OpenBenchmarking.org metrics for this test profile configuration based on 274 public results since 9 February 2021 with the latest data as of 27 February 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.
Based on OpenBenchmarking.org data, the selected test / test configuration (GROMACS 2021 - Input: water_GMX50_bare) has an average run-time of 15 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 0.3%.
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.
3 Systems - 25 Benchmark Results |
Intel Xeon E3-1240 v5 - ASRock E3V5 WS - Intel Xeon E3-1200 v5 Ubuntu 20.10 - 5.11.0-rc1-phx - GNOME Shell 3.38.1 |
2 Systems - 243 Benchmark Results |
Intel Core i9-10885H - HP 8736 - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-43-generic - GNOME Shell 3.38.2 |
3 Systems - 20 Benchmark Results |
AMD Ryzen 5 3600XT 6-Core - MSI X470 GAMING M7 AC - AMD Starship Ubuntu 20.10 - 5.8.0-41-generic - GNOME Shell 3.38.1 |
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 |
1 System - 238 Benchmark Results |
Intel Core i9-10885H - HP 8736 - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-43-generic - GNOME Shell 3.38.2 |
3 Systems - 19 Benchmark Results |
Intel Xeon E5-1680 v3 - ASUS X99-A - Intel Xeon E7 v3 Ubuntu 20.04 - 5.8.0-41-generic - GNOME Shell 3.36.4 |
3 Systems - 14 Benchmark Results |
Intel Core i7-10700T - Logic Supply RXM-181 - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-43-generic - GNOME Shell 3.38.2 |
3 Systems - 108 Benchmark Results |
Intel Core i7-3770K - ECS Z77H2-A2X v1.0 - Intel Xeon E3-1200 v2 Ubuntu 20.04 - 5.4.0-58-generic - GNOME Shell 3.36.4 |
3 Systems - 14 Benchmark Results |
AMD Ryzen 3 1300X - ASRock AB350 Pro4 - AMD 17h Ubuntu 20.04 - 5.9.0-050900daily20201021-generic - GNOME Shell 3.36.4 |
4 Systems - 15 Benchmark Results |
Intel Core i7-4960X - MSI X79MA-GD45 - Intel Xeon E7 v2 Ubuntu 20.10 - 5.8.0-41-generic - GNOME Shell 3.38.1 |
3 Systems - 14 Benchmark Results |
Intel Core i9-10885H - HP 8736 - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-43-generic - GNOME Shell 3.38.2 |
4 Systems - 15 Benchmark Results |
Intel Xeon E3-1270 v5 - ASUS E3 PRO GAMING V5 - Intel Xeon E3-1200 v5 Ubuntu 20.10 - 5.8.0-41-generic - GNOME Shell 3.38.1 |
3 Systems - 19 Benchmark Results |
Intel Core i7-4770K - Gigabyte Z97-HD3 - Intel 4th Gen Core DRAM Ubuntu 20.10 - 5.8.0-41-generic - GNOME Shell 3.38.1 |
8 Systems - 84 Benchmark Results |
Intel Xeon E-2288G - Compulab SBC-ATCFL v1.2 - Intel Cannon Lake PCH Ubuntu 20.10 - 5.8.0-26-generic - GNOME Shell 3.38.1 |
4 Systems - 15 Benchmark Results |
Intel Core i7-4960X - MSI X79MA-GD45 - Intel Xeon E7 v2 Ubuntu 20.10 - 5.8.0-41-generic - GNOME Shell 3.38.1 |
3 Systems - 19 Benchmark Results |
Intel Core i5-7600K - Gigabyte Z270M-D3H-CF - Intel Xeon E3-1200 v6 Ubuntu 20.04 - 5.9.0-050900rc7daily20200928-generic - GNOME Shell 3.36.4 |
3 Systems - 14 Benchmark Results |
Intel Core i7-10700T - Logic Supply RXM-181 - Intel Comet Lake PCH Ubuntu 20.10 - 5.8.0-43-generic - GNOME Shell 3.38.2 |
5 Systems - 89 Benchmark Results |
Intel Core i9-7980XE - ASUS PRIME X299-A - Intel Sky Lake-E DMI3 Registers Ubuntu 20.10 - 5.8.0-36-generic - GNOME Shell 3.38.1 |
4 Systems - 9 Benchmark Results |
AMD Ryzen 5 5600X 6-Core - ASUS TUF GAMING B550M-PLUS - AMD Starship Ubuntu 20.10 - 5.10.4-051004-generic - GNOME Shell 3.38.1 |
3 Systems - 14 Benchmark Results |
AMD Ryzen 3 1300X - ASRock AB350 Pro4 - AMD 17h Ubuntu 20.04 - 5.9.0-050900daily20201021-generic - GNOME Shell 3.36.4 |
Featured Kernel Comparison |
AMD Ryzen 9 5950X 16-Core - ASUS ROG CROSSHAIR VIII HERO - AMD Starship Ubuntu 20.10 - 5.11.0-051100-generic - GNOME Shell 3.38.2 |
3 Systems - 19 Benchmark Results |
Intel Xeon E5-1680 v3 - ASUS X99-A - Intel Xeon E7 v3 Ubuntu 20.04 - 5.8.0-41-generic - GNOME Shell 3.36.4 |
3 Systems - 9 Benchmark Results |
Intel Xeon E3-1280 v5 - MSI Z170A SLI PLUS - Intel Xeon E3-1200 v5 Ubuntu 20.04 - 5.9.0-050900rc2daily20200826-generic - GNOME Shell 3.36.4 |
3 Systems - 108 Benchmark Results |
Intel Core i7-3770K - ECS Z77H2-A2X v1.0 - Intel Xeon E3-1200 v2 Ubuntu 20.04 - 5.4.0-58-generic - GNOME Shell 3.36.4 |