[Thu Jun 29 14:38:42 CST 2023] [MD] [warn] 'Starting MedeA Core 3.6.0'

Forcefield set to:   pcff+
  File: Local::/home/medea/MD/Jobs/dir0/96/pcff+.frc 	 md5 sum: 271FB553B535FE0449E31A6F8A0898D3

MedeA version 3.6.0

#-------------------------------------------------------------------------------
#                This calculation has 2 stages
#-------------------------------------------------------------------------------

Stage 1: Variables
	   tstep = 1 fs
	       T = 298.15 K

Stage 2: This LAMMPS calculation has 2 stages:

	Stage 2.1: Initialize LAMMPS for a Class 2 type of forcefield 'pcff+' (from Local::/home/medea/MD/Jobs/dir0/96/pcff+.frc)
		Current system formula: K94Na8Li30Mg616S93Cl1178O8675H16606 (K94Na8Li30Mg616S93Cl1178O8675H16606)
		The nonbond terms are handled with a simple cutoff at 9.5 Angstrom.
		The long-range van der Waals interactions are included via tail corrections.
		LAMMPS initialized for layer perpendicular to Z.
	
	Stage 2.2: Compress Layer using conjugate gradients and linesearch fast
	                           Target thickness: To final density of 1.3074
	                Relative energy convergence: 0.0
	                          Force convergence: 1.0
	                      Maximum atomic motion: 0.1
	               Maximum number of iterations: 5000
	        Maximum number of force evaluations: 10000
	         Equilibration for 100 ps with a timestep of 1 fs at temperature 298.15 K
	


#-------------------------------------------------------------------------------
#                Running the calculation
#-------------------------------------------------------------------------------

Stage 1: Variables
	   tstep = 1 fs
	       T = 298.15 K

Stage 2: This LAMMPS calculation has 2 stages:

	***** LAMMPS error in LAMMPS.out *****
	ERROR on proc 1: Angle atoms 2230 2227 2228 missing on proc 1 at step 30 (../ntopo_angle_all.cpp:64)
	**************************************

	Stage 2.1: Initialize LAMMPS for a Class 2 type of forcefield 'pcff+' (from Local::/home/medea/MD/Jobs/dir0/96/pcff+.frc)
		Current system formula: K94Na8Li30Mg616S93Cl1178O8675H16606 (K94Na8Li30Mg616S93Cl1178O8675H16606)
		The nonbond terms are handled with a simple cutoff at 9.5 Angstrom.
		The long-range van der Waals interactions are included via tail corrections.
		LAMMPS initialized for layer perpendicular to Z.
	
	Stage 2.2: Compress Layer using conjugate gradients and linesearch fast
	                           Target thickness: To final density of 1.3074
	                Relative energy convergence: 0.0
	                          Force convergence: 1.0
	                      Maximum atomic motion: 0.1
	               Maximum number of iterations: 5000
	        Maximum number of force evaluations: 10000
	         Equilibration for 100 ps with a timestep of 1 fs at temperature 298.15 K
	
		The minimization finished after 0 steps ending because the unknown

Error in stage md-lammps-stage-compresslayer-3d39e7c4-dae4-4b8c-8cc0-93218957e471 analyze: invalid command name ""
invalid command name ""
    while executing
"$sys get density"
    (object "::compressLayer0" method "::MD::LAMMPS::Stage::CompressLayer::analyze" body line 116)
    invoked from within
"::compressLayer0 analyze {}"
    ("eval" body line 1)
    invoked from within
"eval ::compressLayer0 $args"
    (procedure "md-lammps-stage-compresslayer-3d39e7c4-dae4-4b8c-8cc0-932189..." line 1)
    invoked from within
"$stage analyze $sys"

Entire job completed on Thu 29 June 2023 at 14:39:05 CST after 15 s (0:00:15)
and running 1 tasks.