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


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Mon, 24 Jul 2017 09:57:09 -0400

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.

On Sun, Jul 23, 2017 at 5:41 AM, Neda Rafiee via lammps-users <lammps-users@...93...urceforge.net> wrote:
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

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--
Dr. Axel Kohlmeyer  akohlmey@...12...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.