[gmx-users] Reg: Number of nodes in REMD

Rohit Farmer rohit.bioinfo at gmail.com
Thu Jan 19 19:33:23 CET 2012

Hi there,

I am trying to run REMD using the following command

  mdrun_mpi -s run_.tpr -multi 8 -replex 100

and i am getting the following error

Fatal error:
The number of nodes (1) is not a multiple of the number of simulations (8)

i tried using -np option to give the number of nodes but it is also not 

I installed gromacs_mpich using synaptics in ubuntu.

Any help please.



Rohit Farmer
PhD Biosciences (2011-2014)
Center for Systems Biology
University of Birmingham
Birmingham B152TT
United Kingdom
Email : rohit.farmer at gmail.com

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