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gromacs-software [2019/11/11 14:42]
gromacs-software [2019/11/11 14:48] (current)
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 $ gmx</​code>​ $ gmx</​code>​
-**Note:** Please use the ''​-nt''​ to limit the number of threads to the same amount in your SLURM SBATCH ​allocation. ​+**Note:** Please use the ''​-nt'' ​option ​to limit the number of threads ​launched by gmx to be the same amount ​as in your SLURM sbatch ​allocation. See the [[http://​​2018-current/​user-guide/​mdrun-performance.html#​running-mdrun-within-a-single-node|gromacs documentation for more information]]
 ===== Installation ====== ===== Installation ======
gromacs-software.txt · Last modified: 2019/11/11 14:48 by aorth