[gmx-users] MD simulations on a remote workstation

[Amjad Farooq]

Thank you, Vitaly!




On Wed, Apr 2, 2014 at 3:49 PM, Dr. Vitaly Chaban <vvchaban at gmail.com>wrote:

> If you want a simple response, then it is NO.
>
>
>
> Dr. Vitaly V. Chaban
>
>
> On Wed, Apr 2, 2014 at 9:35 PM, Amjad Farooq <amjad at farooqlab.net> wrote:
> > I have nothing to compare to! Well, I could run the same simulaton
> directly
> > on the workstation itself. May be I should do that. But, realistically, I
> > will have to run the test simulation for at least a month (with
> everything
> > else being equal) to get any meaningful comparison.
> >
> > Anyway, I am wondering whether it would be worth the effort to upgrade my
> > 1-Gb ethernet card to 10-Gb? If I am gonna get a mere 10% improvement in
> > speed then that is rubbish. But, if that is gonna translate into 100%
> > improvement (halve the production run time), then it is worth upgrading.
> >
> > That remains to be seen.
> >
> > Amjad
> >
> >
> >
> > On Wed, Apr 2, 2014 at 2:44 PM, Dr. Vitaly Chaban <vvchaban at gmail.com>
> > wrote:
> >>
> >> 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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