Hello,
When I was doing deposition simulations with reaxff, I started reporting errors after reading the molecular template file, what is the reason
Read molecule template dimer:
1 molecules
0 fragments
3 atoms with max type 2
2 bonds with max type 1
1 angles with max type 1
0 dihedrals with max type 0
0 impropers with max type 0
Setting up Verlet run …
Unit style : real
Current step : 10
Time step : 0.01
Per MPI rank memory allocation (min/avg/max) = 10.35 | 15.68 | 22.27 Mbytes
Step Temp PotEng KinEng TotEng Time
10 300 -104275.83 982.77307 -103293.05 0
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 0 PID 41335 RUNNING AT node15_gds_hpc
= KILLED BY SIGNAL: 9 (Killed)
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 1 PID 41336 RUNNING AT node15_gds_hpc
= KILLED BY SIGNAL: 9 (Killed)