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What computer specification I should buy?
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4
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32
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February 12, 2025
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GPU not being enabled even though I compile it with CUDA support on a Azure VM
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2
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44
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January 29, 2025
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Running simultaneous jobs in a same machine
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2
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26
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January 26, 2025
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Simulation time drastically slows down midway through
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4
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329
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January 19, 2025
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Gromacs install with conda but can't run on GPU
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20
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205
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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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29
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December 29, 2024
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Gpu update giving error with protein ligand complex
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10
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1422
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December 23, 2024
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Issues with MD Run and Fe Displacement in Hemoglobin Simulation
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4
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63
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December 13, 2024
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How to consume 100% gpu
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1
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37
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December 2, 2024
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Encountered crashed mdrun when request 2 GPUs on parallel simulations with 15 replicas
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0
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27
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November 15, 2024
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Cuda error with gromacs 2023.3 (CUDA error #700 an illegal memory access)
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6
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2023
|
September 6, 2024
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Creating bilayer membrane
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4
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221
|
August 31, 2024
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GPU Benchmarks for GROMACS - Feedback needed
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1
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73
|
August 13, 2024
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GPU likely dies out mid-simulation, causing long run times
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0
|
19
|
August 13, 2024
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GROMACS get stuck AMD GPU
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11
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1176
|
July 30, 2024
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GROMACS SYCL for Intel GPU support
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4
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82
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July 26, 2024
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CUDA error #719 (cudaErrorLaunchFailure)
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5
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1163
|
July 26, 2024
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Gromacs cmake error w/ GPU enabled
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3
|
125
|
July 25, 2024
|
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Problem with force field parameters for Metallprotein
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0
|
55
|
July 13, 2024
|
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GROMACS only detects 1 GPU on a 4 GPU node
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4
|
144
|
June 26, 2024
|
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Problems installing gromacs with heffte support
|
|
2
|
88
|
June 20, 2024
|
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Gromacs Installation on GPU
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0
|
175
|
June 18, 2024
|
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Optimizing Selection of RTX 40 Series GPUs: Evaluating Performance and Cost Efficiency
|
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6
|
334
|
June 6, 2024
|
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Compile Gromacs with GPU/AdaptiveCpp support on PC
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2
|
178
|
June 5, 2024
|
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Which GPU is best suited for GROMACS?
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10
|
5449
|
December 20, 2023
|
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Gromacs 2023 GPU support not working for some reason
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4
|
1800
|
May 15, 2024
|
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Simulations with free energy calculations on GPU is several time slower than normal simulations
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|
6
|
1011
|
April 26, 2024
|
|
CUDA Error #700 Random Encounter
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5
|
420
|
April 22, 2024
|
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Adding new Vendor
|
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2
|
186
|
March 18, 2024
|
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Is FP64 support required for GPU accelerated runs?
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1
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430
|
February 29, 2024
|