raja wrote:
Dear David,
Thanks, but Linux is not possible because of other users not aware of
that OS. Well, can you make details for some best hardware
configuration.

Split your budget, buy some low-end machines for non-linux-aware users on which you do not plan to run calculations, and the rest on linux machines that can be used for some users and also for calculations.

I can scarcely imagine the full extent of the headaches that would be caused by setting up an MPI environment for gromacs on a set of Windows boxes also used as desktops. Users would cause machine reboots that break calculations, change configurations to break things... This is also true of Linux boxes used similarly, but it is not as horrible.

Mark
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