Dear all,
I have installed lmp_crocket on my machine. It works well but I want to
use lmp_openmpi because my machine has dual core. I have installed it but
I don't know which command I can use to run LAMMPS by both CPU's.
Any help would be appreciated.
Ali Rajabpour
Dear all,
dear ali,
I have installed lmp_crocket on my machine. It works well but I want to
use lmp_openmpi because my machine has dual core. I have installed it but
I don't know which command I can use to run LAMMPS by both CPU's.
have you read the OpenMPI (or any MPI) documentation?
if you install _and_ test it, you should have seen
that using 'mpirun -np 2' will start two MPI tasks...
cheers,
axel.
Ali,
Typically, you'd just need to type "mpirun -np 2 lmp_executable < your_input.in".
For example, on my dual core cygwin box, here's how it works for me (see below).
I hope this helps!
Paul
psc:/cygdrive/c/Documents and Settings/pscrozi/lammps/src> mpirun -np 2 lmp < lj.in
LAMMPS (22 Jan 2008)
Lattice spacing in x,y,z = 1.6796 1.6796 1.6796
Created orthogonal box = (0 0 0) to (33.5919 33.5919 33.5919)
1 by 1 by 2 processor grid
Created 32000 atoms
Setting up run ...
Memory usage per processor = 6.25705 Mbytes
Step Temp E_pair E_mol TotEng Press
0 1.44 -6.7733681 0 -4.6134356 -5.0197073
100 0.7574531 -5.7585055 0 -4.6223613 0.20726105
Loop time of 4.234 on 2 procs for 100 steps with 32000 atoms
Pair time (\) = 2\.89 \(68\.257\)
Neigh time \() = 0.22 (5.19604)
Comm time (\) = 1\.0065 \(23\.7718\)
Outpt time \() = 0 (0)
Other time (%) = 0.1175 (2.77516)
Nlocal: 16000 ave 16001 max 15999 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Nghost: 13632.5 ave 13635 max 13630 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Neighs: 601416 ave 605200 max 597633 min
Histogram: 1 0 0 0 0 0 0 0 0 1
Total # of neighbors = 1202833
Ave neighs/atom = 37.5885
Neighbor list builds = 5
Dangerous builds = 0
psc:/cygdrive/c/Documents and Settings/pscrozi/lammps/src>