Lammps on the supercomputer

Dear Sir

I had installed the Lammps on a supercomputer with 2800 processors. Now I hope I can use as more processors as I can. For the test case namely as crack in the example direction and a larger case which is attached, it can be run with 64 processors but exit without any error message while 128 processors are used. Could you kindly tell me the reason? Thank you for your help.

I used make ompi_g++ to compile the Lammps with the following packages. Is there some thing wrong during compiling?

Installed YES: package ASPHERE
Installed YES: package BODY
Installed YES: package CLASS2
Installed YES: package COLLOID
Installed YES: package DIPOLE
Installed YES: package FLD
Installed NO: package GPU
Installed YES: package GRANULAR
Installed NO: package KIM
Installed NO: package KOKKOS
Installed YES: package KSPACE
Installed YES: package MANYBODY
Installed YES: package MC
Installed NO: package MEAM
Installed YES: package MISC
Installed YES: package MOLECULE
Installed YES: package MPIIO
Installed NO: package OPT
Installed YES: package PERI
Installed NO: package POEMS
Installed YES: package QEQ
Installed NO: package REAX
Installed YES: package REPLICA
Installed YES: package RIGID
Installed YES: package SHOCK
Installed YES: package SNAP
Installed YES: package SRD
Installed NO: package VORONOI
Installed YES: package XTC

Installed NO: package USER-ATC
Installed NO: package USER-AWPMD
Installed NO: package USER-CG-CMM
Installed NO: package USER-COLVARS
Installed NO: package USER-CUDA
Installed NO: package USER-EFF
Installed NO: package USER-FEP
Installed NO: package USER-INTEL
Installed NO: package USER-LB
Installed NO: package USER-MISC
Installed NO: package USER-MOLFILE
Installed NO: package USER-OMP
Installed NO: package USER-PHONON
Installed NO: package USER-QMMM
Installed NO: package USER-REAXC
Installed NO: package USER-SPH

in.droplet.txt (3.26 KB)

Dear Sir

   I had installed the Lammps on a supercomputer with 2800 processors. Now I
hope I can use as more processors as I can. For the test case namely as
crack in the example direction and a larger case which is attached, it can
be run with 64 processors but exit without any error message while 128
processors are used. Could you kindly tell me the reason? Thank you for your
help.

nobody can know for certain with no visible error message, but like i
already mentioned, the cause is most likely due to communication or
other issues on your machine. your best chance to get help is to
contact the system managers of that machine and ask them to help you
track down the problem.

have you been able to run *any* MPI parallel calculation on that
machine with that many processors? if yes, you should test again. it
could simply be that there is a bad node that only gets assigned if
you use more processors.

LAMMPS has been run on much larger machines with more processors. i
can run the crack example without a problem on 128 processors.

I used make ompi_g++ to compile the Lammps with the following packages. Is
there some thing wrong during compiling?

there is no information here about your compilation, but it is very
unlikely that there is a problem when you can run with 64 cpus. any
compilation related issue would show up immediately when running in
parallel.

axel.