Dear lammps users,
I want to run a very very simple system of ellipsoidal particles.
Here is my .in file:
units real
atom_style ellipsoid
dimension 3
lattice sc 20
boundary p p p
region mybox block 0 10 0 10 0 10
create_box 1 mybox
create_atoms 1 box
set group all quat/random 18238 # randomizes the orientation of atoms
mass 1 249.35
shape 1 18.1538 3.3512 3.1552 # atom_type_ID & diameter of atom in x, y, z directions
velocity all create 298 34523 dist gaussian # 298 is temprature and 34523 is random seed
pair_style resquared 40.0
pair_coeff 1 1 259.476 2.8827 2.1882 2.4141 0.46828 2.1882 2.4141 0.46828
thermo_style custom step temp etotal press vol
thermo 1
dump 1 all custom 1 dump.frank id type x y z quatw quati quatj quatk
timestep 1
fix 1 all nve/asphere
run 10
But I get this error massage:
[zahra-computer:01967] *** Process received signal ***
[zahra-computer:01967] Signal: Segmentation fault (11)
[zahra-computer:01967] Signal code: Address not mapped (1)
[zahra-computer:01967] Failing at address: 0x44000098
[zahra-computer:01967] [ 0] /lib/libpthread.so.0(+0xfb40) [0x7ff62edf6b40]
[zahra-computer:01967] [ 1] /usr/lib/libmpi.so.0(MPI_Comm_rank+0x5e) [0x7ff62ffcc13e]
[zahra-computer:01967] [ 2] ./lmp_openmpi(_ZN9LAMMPS_NS8UniverseC1EPNS_6LAMMPSEi+0xcc) [0x7a07dc]
[zahra-computer:01967] [ 3] ./lmp_openmpi(_ZN9LAMMPS_NS6LAMMPSC1EiPPci+0x85) [0x65fd85]
[zahra-computer:01967] [ 4] ./lmp_openmpi(main+0x40) [0x6659b0]
[zahra-computer:01967] [ 5] /lib/libc.so.6(__libc_start_main+0xfe) [0x7ff62ea82d8e]
[zahra-computer:01967] [ 6] ./lmp_openmpi() [0x4643c9]
[zahra-computer:01967] *** End of error message ***
Segmentation fault
I’ve done ‘make yes-asphere’ before ‘make openmpi’.
I would be so thankful if you could help me.
Many regards,
Zahra