ACEMD 3: molecular dynamics simulations for GPUs | |||
---|---|---|---|
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 2.34 (cuda1121) | 26 Feb 2025, 15:52:53 UTC | 811 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 2.34 (cuda1121) | 26 Feb 2025, 15:53:08 UTC | 533 GigaFLOPS |
ATM: Free energy calculations of protein-ligand binding | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.19 (cuda1121) | 26 Feb 2025, 15:57:01 UTC | 188,337 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 1.19 (cuda1121) | 26 Feb 2025, 15:57:12 UTC | 238,263 GigaFLOPS |
ATMbeta: Free energy calculations of protein-ligand binding (beta test) | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.14 (cuda1121) | 25 Nov 2024, 11:43:38 UTC | 2,891 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 1.14 (cuda1121) | 25 Nov 2024, 11:43:18 UTC | 7,391 GigaFLOPS |
Quantum chemistry calculations on GPU | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.06 (cuda1121) | 26 Feb 2025, 16:17:07 UTC | 383 GigaFLOPS |
ATMML: Free energy with neural networks | |||
Platform | Version | Created | Average computing |
Linux running on an AMD x86_64 or Intel EM64T CPU | 1.02 (cuda1121) | 27 Feb 2025, 11:56:18 UTC | 1,020 GigaFLOPS |
Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU | 1.02 (cuda1121) | 27 Feb 2025, 12:01:50 UTC | 1,944 GigaFLOPS |
Total average computing: 441,575 GigaFLOPS
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