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gromacs-software [2018/07/16 18:48]
aorth [Installation]
gromacs-software [2019/11/11 17:48] (current)
Line 17: Line 17:
 <​code>​$ module load gromacs/​2018.2 <​code>​$ module load gromacs/​2018.2
 $ gmx</​code>​ $ gmx</​code>​
 +**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.1531756106.txt.gz · Last modified: 2018/07/16 18:48 by aorth