Emergency shutdown (memory images has been reset to disk)q

Hello, I want to simulate aluminum oxide in the LAMPS program using OPENDKIM. I am attaching an input to start the calculation in LAMMPS.

Define KIM model and get Si diamond lattice parameter for this potential

kim init Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000 real
kim query a0 get_lattice_constant_cubic crystal=[“fcc”] species=[“Al”,“oy4”] units=[“angstrom”]

Setup diamond crystal

boundary p p p
lattice fcc ${a0}
region simbox block 0 2 0 2 0 2 units lattice
create_box 2 simbox
create_atoms 2 box
mass 1 26.981530
mass 2 16.000000

Define atom type to species mapping

kim interactions Al O

Compute energy

run 0
write_data test.data

It turns out that such a mistake.
oxt@oxt-MS-7C56:~/DATTA$ lmp_gpu -sf gpu -pk gpu 1 -in run.in
LAMMPS (29 Aug 2024 - Update 1)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
using 1 OpenMP thread(s) per MPI task

Using KIM Simulator Model : Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000

For Simulator : LAMMPS 8 Feb 2019

Running on : LAMMPS 29 Aug 2024

*** buffer overflow detected ***: terminated
[oxt-MS-7C56:97024] *** Process received signal ***
[oxt-MS-7C56:97024] Signal: Aborted (6)
[oxt-MS-7C56:97024] Signal code: (-6)
[oxt-MS-7C56:97024] [ 0] /lib/x86_64-linux-gnu/libc.so.6(+0x45320)[0x71d4b8845320]
[oxt-MS-7C56:97024] [ 1] /lib/x86_64-linux-gnu/libc.so.6(pthread_kill+0x11c)[0x71d4b889eb1c]
[oxt-MS-7C56:97024] [ 2] /lib/x86_64-linux-gnu/libc.so.6(gsignal+0x1e)[0x71d4b884526e]
[oxt-MS-7C56:97024] [ 3] /lib/x86_64-linux-gnu/libc.so.6(abort+0xdf)[0x71d4b88288ff]
[oxt-MS-7C56:97024] [ 4] /lib/x86_64-linux-gnu/libc.so.6(+0x297b6)[0x71d4b88297b6]
[oxt-MS-7C56:97024] [ 5] /lib/x86_64-linux-gnu/libc.so.6(+0x136c19)[0x71d4b8936c19]
[oxt-MS-7C56:97024] [ 6] /lib/x86_64-linux-gnu/libc.so.6(+0x1365d4)[0x71d4b89365d4]
[oxt-MS-7C56:97024] [ 7] lmp_gpu(+0x5ef914)[0x58ababc64914]
[oxt-MS-7C56:97024] [ 8] lmp_gpu(+0x5f0429)[0x58ababc65429]
[oxt-MS-7C56:97024] [ 9] lmp_gpu(+0x5e0220)[0x58ababc55220]
[oxt-MS-7C56:97024] [10] lmp_gpu(+0x2f1977)[0x58abab966977]
[oxt-MS-7C56:97024] [11] lmp_gpu(+0x2f25de)[0x58abab9675de]
[oxt-MS-7C56:97024] [12] lmp_gpu(+0x2dcbc1)[0x58abab951bc1]
[oxt-MS-7C56:97024] [13] /lib/x86_64-linux-gnu/libc.so.6(+0x2a1ca)[0x71d4b882a1ca]
[oxt-MS-7C56:97024] [14] /lib/x86_64-linux-gnu/libc.so.6(__libc_start_main+0x8b)[0x71d4b882a28b]
[oxt-MS-7C56:97024] [15] lmp_gpu(+0x2e45c5)[0x58abab9595c5]
[oxt-MS-7C56:97024] *** End of error message ***
Emergency shutdown (the memory image has been reset to disk)
Can you please tell me what the reason is?

Hello,

There are several problems with your input.

The actual crash is probably happening from the query line. That query is only for cubic, single-element crystals. There is currently no query you can call from LAMMPS to get the lattice constant for Al-O.

Your commands to create atoms are also incorrect. You are creating a diamond structure with atom type 2 only, not a binary structure. You probably need to learn how to create LAMMPS data files and use the read_data command, creating a hexagonal Al-O structure using create_atoms would be tricky.

The model you are trying to use is a bonded force field that requires a special data file with “Type Labels” and a “kim interactions fixed_types” argument. However, that doesn’t matter, because it is not parametrized for aluminum oxide. You should use a different model from OpenKIM, such as one of the Buckingham models.

Ok, thank you very much for the answer.