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How to enable GMX_ENABLE_DIRECT_GPU_COMM
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3
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33
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March 14, 2025
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Install workflow with AMD GPU support (Framework 16, Ubuntu 24.04, GPU: AMD Radeon RX 7700S)
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8
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620
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February 24, 2025
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Gromacs install with conda but can't run on GPU
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20
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272
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January 4, 2025
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Problems with installing GPU-supported Gromacs on a cluster and can't find cuda root
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4
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33
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December 29, 2024
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Error in Gromacs installation on GPU
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18
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1967
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November 13, 2024
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Installing Gromacs on Windows
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3
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443
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October 31, 2024
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Grompp errors with v2024.3: The drift estimate should be a finite value
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5
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31
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October 30, 2024
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How to Set up MMPBSA in Gromacs 2024.1
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10
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1618
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August 12, 2024
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GROMACS SYCL for Intel GPU support
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4
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87
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July 26, 2024
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Installation of AMBER ff19SB on GROMACS 2024.1
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3
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505
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July 24, 2024
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"'automake-1.15' is probably too old." error when trying to install
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1
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232
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July 16, 2024
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CUDA enabled Gromacs Cp2k installation error
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2
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374
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July 14, 2024
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Gromacs Installation on GPU
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0
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183
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June 18, 2024
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After installation
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0
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77
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April 4, 2024
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NbnxmSetupTest.CanCreateNbnxmGPU error during 2024 build
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5
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443
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March 25, 2024
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Adding new Vendor
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2
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186
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March 18, 2024
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Error Building GROMACS 2023.3 with CUDA - NVCC/GCC Compatibility Issue
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2
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536
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March 14, 2024
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Persistent Issue: GROMACS Installation Troubles
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2
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312
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March 4, 2024
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Docker of GROMACS 2023 or 2024
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0
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301
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January 30, 2024
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How do you know if the GROMACS-CP2K is working?
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0
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268
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January 28, 2024
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gromacs23.2+Cp2k23.2 installation error
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1
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370
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November 30, 2023
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Error in compiling intel gpu with gromacs
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5
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342
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November 20, 2023
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I am trying to compile GROMACS with both GPU acceleration and double precision
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8
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2305
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November 6, 2023
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Unable to build with cuFFTMp
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14
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1398
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October 31, 2023
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Gromacs 2023 installation issue, slower run with gmx_mpi on multiple nodes
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0
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671
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October 26, 2023
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GMXcommand not found after source
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2
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689
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October 20, 2023
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GROMACS Installation in Centralised Supercomputing Facility
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5
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693
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August 26, 2023
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Using multiple GPUs on one machine
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9
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4353
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March 24, 2023
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Error while installing gromacs with gpu acceleration
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0
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359
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December 1, 2022
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Installation of GROMACS on MAC air having new M1 chip
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2
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2295
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July 18, 2021
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