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Issue with MPI
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3
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5
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December 6, 2022
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Gromacs runtime split between GPU & CPU
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0
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16
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December 5, 2022
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Compile GROMACS on GPU on MAC OS
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1
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18
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November 30, 2022
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Successful OpenCL installation returns disabled GPU support
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7
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28
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November 16, 2022
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Are update gpu flag and md-vv integrator compatibles in current version?
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1
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26
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October 31, 2022
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Why huge amount of SOL added during gmx genion in some cases?
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5
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112
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September 3, 2022
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Little to no movement or change in protein structure after 50ns MD
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2
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84
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September 2, 2022
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Installing GROMACS on Ubuntu with CUDA GPU Support Fails
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1
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266
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September 1, 2022
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All CUDA-capable devices are busy or unavailable
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7
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188
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August 31, 2022
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Gormacs installation-enabling GPU
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10
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2217
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July 28, 2022
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HIP version of GROMACS
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9
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352
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July 13, 2022
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Correct MDP parameters for -update GPU
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1
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154
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June 21, 2022
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Does GROMACS supports GPU acceleration on M1 Mac？
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6
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688
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June 18, 2022
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Mdrun error with GPU in MacOS
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3
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226
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May 18, 2022
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Regarding Editing the RAM and Compiling from GROMACS Source to improve performance
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0
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98
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April 27, 2022
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Analysis of interaction between GOLD and protein
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1
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115
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March 31, 2022
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GROMACS 2022+CP2K with GPU
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2
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229
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March 29, 2022
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How to recompile GROMACS with GPU support?
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2
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212
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March 19, 2022
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Gpu compatibility with GROMACS
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3
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357
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March 8, 2022
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GROMACS mdrun on GPU has become very slow recently
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0
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174
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February 9, 2022
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GPU usage with PBS
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0
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101
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December 14, 2021
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GPU Utilization in Gromacs2021.3 is low, about 80%
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5
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194
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December 14, 2021
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Running Gromacs in GPU vs CPU
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1
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294
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December 3, 2021
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GPU questions
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6
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363
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November 14, 2021
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Simulations with free energy calculations on GPU is several time slower than normal simulations
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2
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190
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November 4, 2021
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New blog post on maximizing GROMACS throughput on GPUs
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0
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214
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October 11, 2021
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Building a system for enhanced sampling MD with Gromacs - help choosing GPUs
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2
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153
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September 13, 2021
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Segmentation fault on NVT, free energy calculation
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4
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398
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August 19, 2021
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How to Specify GPU core ID in mdrun
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2
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453
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August 18, 2021
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Error when using more than one GPU core on the same node
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0
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147
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August 12, 2021
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