[gmx-users] MD simulations on a remote workstation

[Dr. Vitaly Chaban]

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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