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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://manual.gromacs.org/2018-current/user-guide/mdrun-performance.html#running-mdrun-within-a-single-node|gromacs documentation for more information]].|
|===== Installation ======||===== Installation ======|