[gmx-users] MD simulations on a remote workstation

[Aldo Segura]

Hi Farooq,

Are the machines working in parallel? I mean,  is the simulation running on both machines? or Are you using your PC just to send and monitoring the simulation on the workstation? In the former case, you'll see an improvement in the communication between both machines and speed of simulations (I don't know how much, sorry).  For last case, you'll notice the difference when you're transfering files between your PC and the workstation.
 

Best,

Aldo

 
=======================================
Aldo Segura-Cabrera
Postdoctoral Fellow
Division of Experimental Hematology and Cancer Biology
Cancer and Blood Diseases Institute
Cincinnati Children's Hospital Medical Center
3333 Burnet Ave, MLC 7013, Cincinnati OH 45229

=========================================
El Miércoles, 2 de abril, 2014 13:49:53, Amjad Farooq <amjad at farooqlab.net> escribió:
 
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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