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[lammps-users] no error and no output generated
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[lammps-users] no error and no output generated


From: Neda Rafiee <ne.rafiee@...444...>
Date: Sun, 23 Jul 2017 14:11:54 +0430

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?
-----
Thanks
Neda