how to run multi-replica simulations on several processors?

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1

Hi all, I am a beginner in LAMMPS and in parallel computation.

I know that the command "mpirun -np 4 lmp_linux -partition 4x1 -in in.neb" runs 4 replicas on 4 processors, but I would like to run a nudged elastic band calculation of 20 replicas on 4 processors. Which would be the right command to use several replicas on the same processor?

Thanks in advance,

Alfonso

2

Hi all, I am a beginner in LAMMPS and in parallel computation.

I know that the command "mpirun -np 4 lmp_linux -partition 4x1 -in in.neb"
runs 4 replicas on 4 processors, but I would like to run a nudged elastic
band calculation of 20 replicas on 4 processors. Which would be the right
command to use several replicas on the same processor?

http://lammps.sandia.gov/doc/Section_howto.html#howto-5

3

So you need at least one (physical or virtual) processor per replica, isn’t it?.

Alfonso.