Hi,
I’ve implemented a new pair style (It’s very similar to pair lj smooth in that it has an inner and outer cutoff. My potential between the inner and outer cutoff is just different). My code compiles the same way pair_lj_smooth does. When I run an input file, I get a segmentation fault. I’m wondering if anyone can figure out what might be wrong? Or if you know where I should be looking for problems.
Thanks,
Avik Mondal
P.S. Below I’ll post the input file as well as the full output when I run it. The output I run is done with lmp_mpi, but I’ve tried the same thing with lmp_ubuntu.
INPUT FILE
3d Lennard-Jones melt
units lj
atom_style atomic
lattice fcc 2.00
region box block 0 5 0 5 0 5
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 1.44 87287 loop geom
pair_style lj/SFCGM 2.5 5
pair_coeff 1 1 1.0 1.0 2.5 2.5 3.9
neighbor 0.3 bin
neigh_modify delay 5 every 1
fix 1 all nve
run 100
WHAT I GET IT RUNS:
LAMMPS (15 May 2015)
Lattice spacing in x,y,z = 1.25992 1.25992 1.25992
Created orthogonal box = (0 0 0) to (6.29961 6.29961 6.29961)
1 by 1 by 1 MPI processor grid
Created 500 atoms
Neighbor list info …
1 neighbor list requests
update every 1 steps, delay 5 steps, check yes
master list distance cutoff = 4.2
Setting up run …
[avik-HP-ENVY-Sleekbook-4-PC:12289] *** Process received signal ***
[avik-HP-ENVY-Sleekbook-4-PC:12289] Signal: Segmentation fault (11)
[avik-HP-ENVY-Sleekbook-4-PC:12289] Signal code: Address not mapped (1)
[avik-HP-ENVY-Sleekbook-4-PC:12289] Failing at address: 0x98
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 0] /lib/x86_64-linux-gnu/libpthread.so.0(+0x10340) [0x7fb557811340]
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 1] ./lmp_mpi() [0x717851]
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 2] ./lmp_mpi() [0x7e5082]
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 3] ./lmp_mpi() [0x7baa9f]
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 4] ./lmp_mpi() [0x59d1e6]
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 5] ./lmp_mpi() [0x59b879]
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 6] ./lmp_mpi() [0x59c2e2]
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 7] ./lmp_mpi() [0x404036]
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 8] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0xf5) [0x7fb55745dec5]
[avik-HP-ENVY-Sleekbook-4-PC:12289] [ 9] ./lmp_mpi() [0x4040cf]
[avik-HP-ENVY-Sleekbook-4-PC:12289] *** End of error message ***
Segmentation fault (core dumped)