LAMMPS Reading Unrealistically Large Atom Count from Atomsk-Generated File

I’m using Atomsk to generate a cylindrical sample and reading it into LAMMPS using the read_data command. The model should contain around 1.6 million atoms, but occasionally, LAMMPS reads a completely nonsensical number of atoms—something like 140730947889715—and then hangs indefinitely.

Strangely, if I cancel the job and re-run the exact same script and data file, it often works perfectly without any changes. This suggests the issue is intermittent and not a problem with the data file itself.

To help debug this, I’ve attached:
• The LAMMPS input script (in.creatGB_cyln_CoAl_fccAl.txt)
• The LAMMPS output file from a failed run (Outrerunpolycrystal.o4619145)

in.creatGB_cyln_CoAl_fccAl.txt (3.3 KB)
Outrerunpolycrystal.o4619145 (438 Bytes)

Here is an excerpt of the cylindrical_sample_coal1.lmp data file generated by Atomsk:

Bcc CoAl alloy oriented X=[001] Y=[1-10] Z=[110].

 1692799  atoms
       2  atom types

  0.000000000000     235.832000000000  xlo xhi
  0.000000000000     333.516812840000  ylo yhi
  0.000000000000     467.736993620000  zlo zhi

Masses

        1   58.93319500             # Co
        2   26.98153860             # Al

Atoms # atomic

     1    1      103.412091451360      50.676292171009       1.928437528366
     2    2      104.853965941040      50.679617333633      -0.104155673739
     3    1      106.290854942240      50.677853029693       1.930397346369
     4    2      107.732510108160      50.681094813114      -0.102167791516
     5    1      109.169491083840      50.679423893881       1.932478775991
     6    2      110.610936359280      50.682575627763      -0.100086361895
     7    1      112.047981009600      50.680984752566       1.934653753011
     8    2      113.489230544480      50.684049772076      -0.097930094354

Has anyone else experienced this kind of erratic behavior with read_data in LAMMPS?

Any insight would be appreciated. Thanks!

No.

Try using

boundary f f p

What is the output of lmp -h ?