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Warning!

Puhti and Mahti will be decommissioned after Roihu becomes available. Users should clean up unnecessary files and move any required data by the end of August 2026. See the Roihu data preparation instructions for details.

Puhti scratch is very full: keep only active data there and move or delete everything else. No new Puhti scratch quota will be granted.

Grace

Grace is foremost a plotting tool, and e.g. GROMACS produces tailored input for it, but Grace can also be used for some numerical analyses.

Available

  • Puhti: 5.1.25

License

Usage

Initialize Grace with:

module load grace

And start with xmgrace or show a plot directly with xmgrace input.xvg.

Note, that you need remote graphics to work with Grace. An easy way is through the Puhti web interface remote desktop.

More information