[gmx-users] re:multi problem again

Andrei Neamtu aneamtu at iasi.mednet.ro
Wed Jun 13 11:13:27 CEST 2007

Dear Mark,

Thank you for your reply!

I thought that maybe the accessibility were the problem. I don't  
figure how to set the working directory of say node 1 to my current  
working directory on node 0.
I setup node 1 to be able to access node 0 through ssh with no  
password but the problem remains. So .. I'm stuck here.
Any idea where to start digging solving the most probable  
accessibility problem?

In short there is how I made the GROMACS installation:

1. I installed GROMACS (serial and parallel version) on every node
2. I setup the node 0 to be able to access all other nodes through ssh  
without password
3. generated on node 0 the nodesfile file for lam booting

I must say that parallel simulations run fine on the entire cluster (I  
mean a single system split on all nodes). The only problem appears  
when I try using -multi to simulate several copies of the system along  
the nodes.

Do I have to use a file sharing system or something like this ...?
It is the first time I try to use the -multi option.

Thank you a lot,

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