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| Version | Installation Path | modulefile | compiler | comment |
|---|---|---|---|---|
| 2018.4 | /sw/chem/gromacs/2018.4/skl/impi | gromacs/2018.4 | intelmpi | |
| 2018.4 | /sw/chem/gromacs/2018.4/skl/impi-plumed | gromacs/2018.4-plumed | intelmpi | with plumed |
| 2019.6 | /sw/chem/gromacs/2019.6/skl/impi | gromacs/2019.6 | intelmpi | |
| 2019.6 | /sw/chem/gromacs/2019.6/skl/impi-plumed | gromacs/2019.6-plumed | intelmpi | with plumed |
| 2021.2 | /sw/chem/gromacs/2021.2/skl/impi | gromacs/2021.2 | intelmpi | |
| 2021.2 | /sw/chem/gromacs/2021.2/skl/impi-plumed | gromacs/2021.2-plumed | intelmpi | with plumed |
Usage
Load the necessary modulefiles. Note that Intel MPI module file should be loaded first
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