[lammps-users] compute in a multi-core enviroment

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1

Dear Steve and Axel,

Thanks for the information. However, I found out the multi-core is not working.

I’m using a rock cluster, which consist of 18 nodes with 4 cores per node. I had installed mpich2 and g++(LAMMPS).
When I try to run LAMMPS with mpich2 with the following command, say
mpirun -np 8 lmp_g++ < in.file
it automatically uses 8 nodes with 1 core per node, instead of using 2 nodes with 4 cores per node. The frontal is not efficient.

I’m wondering whether I did not configure LAMMPS properly.

Thank you.

Regards,
Christopher

2

That's an MPI and mpirun issue, not a LAMMPS issue.
The MPI installation is responsible for giving physical
procs to LAMMPS (or any other MPI code). LAMMPS
has no knowledge of which physical procs it is running on.

Steve