no error and no output generated

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1

Hi all,

I have a problem in obtaining output from lammps. I used the following lines in my input file:

#LAMMPS Input file generated by Avogadro

Intialization

units real
dimension 3d
boundary p p p
atom_style full

Atom Definition

read_data data.water
replicate 1 1 1

Settings

velocity all create 298.15 4928459 rot yes mom yes dist gaussian
fix ensemble all nvt temp 298.15 298.15 100 tchain 1

timestep 2.0

Output

dump 1 all xyz 20 water.xyz
thermo_style custom step temp pe etotal press vol
thermo 50

Run the simulation

run 1000

And I run lammps using the following commands:

./lmp_mpi -in in.water

I got this message:
LAMMPS (6 Jul 2017)
MPI process rank 0 (n0, p3040) caught a SIGSEGV.

And only a log file is generated. No other files…

What should I do?

2

the message:

MPI process rank 0 (n0, p3040) caught a SIGSEGV.

is an error and a very serious one. you should try running without MPI and use the -echo screen flag, so you see after which command of your input LAMMPS segfaults.

most likely this would be during read_data, which in turn means, that your data file is incorrectly formatted.

axel.

3

Dear Axel,

Thanks a lot. Actually the problem was with my data file…