[gmx-users] parallel problem

Osmany Guirola Cruz osmany.guirola at cigb.edu.cu
Wed Sep 3 22:54:01 CEST 2003


No i have dual PIII 933MHz   coupled by tcp/ip

It is 100 Mbit

My cluster  have a switch  i have 32 dual in a sub-net and only one 
machine is in my network (PBS)

I do a simulation whit 9500  molecules of water (SOL) 129 proteins residue

No i dont do the gromacs benchmarks , HOW COULD I DO IT?

 i forget something , my simulations whith cutoff are shorter than PME

Really i need help, i have 32 machines and  only use one for my 
simulations :-(









David wrote:

>On Wed, 2003-09-03 at 22:16, Osmany Guirola Cruz wrote:
>  
>
>>This is not the first time that i make the same question, how should i do gromacs work well whith lam in my linux cluster , a simulation in one machine is shorter than two machines , my last steep was compile the lammpi source whith the option  tcp-short=524288 (512kb) and nothing  happens . 
>>
>>PLEASE HELPMEEEEEEEEEEEEEEEEEEEEEE
>>    
>>
>I'll just assume you have single processor machines coupled by tcp/ip
>network, is that correct?
>
>Is it 10 Mbit/s, 100 Mbit/s or better?
>
>Do you have a switch between the machines or a hub?
>
>How large is your system to simulate?
>
>Did you try to reproduce the gromacs benchmarks?
>
>  
>
>> 
>>
>>    
>>

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