[SCore-users] charmm

[Bogdan Costescu]

On Thu, 14 Mar 2002, Nick Birkett wrote:

>  scrun  -nodes=2   scatter == /users/jonh/c27b1/exec/gnu/charmm  < scalar.inp

You need to specify to "scatter" input only to the first node of the job:

scrun -nodes=2 scatter -node 0 == /users/jonh/c27b1/exec/gnu/charmm < ...
                       ^^^^^^^

Best regards,

Bogdan Costescu

IWR - Interdisziplinaeres Zentrum fuer Wissenschaftliches Rechnen
Universitaet Heidelberg, INF 368, D-69120 Heidelberg, GERMANY
Telephone: +49 6221 54 8869, Telefax: +49 6221 54 8868
E-mail: Bogdan.Costescu at IWR.Uni-Heidelberg.De