[gmx-users] MD simulations on a remote workstation

Dr. Vitaly Chaban vvchaban at gmail.com
Wed Apr 2 20:45:25 CEST 2014


I believe the answer pretty much depends on how large speedup you get
with your present setup. Would you provide this info?



Dr. Vitaly V. Chaban


On Wed, Apr 2, 2014 at 7:14 PM, Amjad Farooq <amjad at farooqlab.net> wrote:
> Hi everyone,
>
> I am running Gromacs 5.0-beta on a remote workstation (next door) from my
> PC. The two machines are networked via 1-Gigabit PCI-E ethernet cards (on
> each machine) and a CAT-6 ethernet cable.
>
> My question is:
> Would my MD simulations benefit in terms of speed if I were to use
> 10-Gigabit PCI-E ethernet cards (they are damn expensive)? Is it worth my
> dime and time? How much would I gain in terms of speed? Halve the run time?
> Or even better?
>
> Thank you for any suggestions that you may have.
>
> Amjad Farooq
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