The start time is: 2024-10-02 15:55:22
My job ID is: 27225
The total cores is: 32
The hosts is:
comput14:32
srun: Job 27225 step creation temporarily disabled, retrying
srun: Step created for job 27225
LAMMPS (2 Aug 2023 - Update 3)
Reading data file ...
  orthogonal box = (-0.64621547 -0.74544079 13.521331) to (51.600985 51.236559 120.04083)
  2 by 2 by 8 MPI processor grid
  reading atoms ...
  20536 atoms
Finding 1-2 1-3 1-4 neighbors ...
  special bond factors lj:    0        0        0       
  special bond factors coul:  0        0        0       
     0 = max # of 1-2 neighbors
     0 = max # of 1-3 neighbors
     0 = max # of 1-4 neighbors
     1 = max # of special neighbors
  special bonds CPU = 0.003 seconds
  read_data CPU = 0.686 seconds
ERROR: Pair coeff for hybrid has invalid style: gp_merged_2bdmbd.xml (../pair_hybrid.cpp:525)
Last command: pair_coeff      * * gp_merged_2bdmbd.xml "Potential xml_label=GAP_2017_5_7_60_20_48_12_148" 32 51 52
The end time is: 2024-10-02 15:55:24