Lammps giving multiple output rows

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1

Dear lammps users,

Today I compiled lammps on xubuntu. but when I run my script the very first row of my output quantities is repeated many times and is equal to -np threads i set. Here i used mpirun -np 4 lmp_mpi -in in.bn command. If I use -np=2 first row is repeated two times . Any idea? Didi I install lammps wrongly?

Memory usage per processor = 89.8922 Mbytes
Step Lx Ly Lz Temp PotEng TotEng Press Pxx Pyy Pzz
0 50.438 52.4167 7 100 -145072.39 -144500.37 94885.387 -702301.35 -702403.55 1689361.1
Memory usage per processor = 89.8922 Mbytes
Step Lx Ly Lz Temp PotEng TotEng Press Pxx Pyy Pzz
0 50.438 52.4167 7 100 -145072.39 -144500.37 94885.387 -702301.35 -702403.55 1689361.1
Memory usage per processor = 89.8922 Mbytes
Step Lx Ly Lz Temp PotEng TotEng Press Pxx Pyy Pzz
0 50.438 52.4167 7 100 -145072.39 -144500.37 94885.387 -702301.35 -702403.55 1689361.1
Memory usage per processor = 89.8922 Mbytes
Step Lx Ly Lz Temp PotEng TotEng Press Pxx Pyy Pzz
0 50.438 52.4167 7 100 -145072.39 -144500.37 94885.387 -702301.35 -702403.55 1689361.1

Thanks.

Rajesh

2

Dear lammps users,

Today I compiled lammps on xubuntu. but when I run my script the very first
row of my output quantities is repeated many times and is equal to -np
threads i set. Here i used mpirun -np 4 lmp_mpi -in in.bn command. If I use
-np=2 first row is repeated two times . Any idea? Didi I install lammps
wrongly?

probably. this behavior would happen, if the mpirun command to run
lammps and the mpicxx command to compile LAMMPS were taken from
different MPI libraries, or when LAMMPS was compiled against the MPI
STUBS.

axel.

3

Dear Axel

Thank you for your response. Can you please suggest how to diagnose this.

Thanks
Rajesh.

4

Dear Axel

Thank you for your suggestion. I found that two mpi implementations were installed ie mpich and openmpi. I removed one of them and recompiled lammps which works fine.

Thanks you. you are genius.

Rajesh.