[Fri Jun 30 13:01:10 CST 2023] [MD] [warn] 'Starting MedeA Core 3.6.0'

Forcefield set to:   pcff+
  File: Local::/home/medea/MD/Jobs/dir0/122/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
	       P = 1 atm

Stage 2: This LAMMPS calculation has 6 stages:

	Stage 2.1: Initialize LAMMPS for a Class 2 type of forcefield 'pcff+' (from Local::/home/medea/MD/Jobs/dir0/122/pcff+.frc)
		Current system formula: K94Na8Li30Mg616S93Cl1178O8675H16606 (K94Na8Li30Mg616S93Cl1178O8675H16606)
		The nonbond terms are handled with a cutoff at 9.5 Angstrom.
		The long-range Coulomb interactions are handled with the pppm method to a precision of 0.00001.
		The long-range van der Waals interactions are included via tail corrections.
	
	Stage 2.2: Minimize using conjugate gradients and linesearch fast
	                Relative energy convergence: 0.0
	                          Force convergence: 1.0
	                      Maximum atomic motion: 0.05
	               Maximum number of iterations: 1000
	        Maximum number of force evaluations: 10000
	
	Stage 2.3: Set the velocities for 298.15 K
	
	Stage 2.4: NPT integration for 200 ps with a timestep of 1 fs
		P is 1 atm with cell constrained isotropically
		T is 298.15 K
	
	Stage 2.5: NVT integration for 200 ps with a timestep of 1 fs
		T is 298.15 K
	
	Stage 2.6: Surface tension calculation using NVT integration
		for 200 ps with a timestep of 1 fs, T is 298.15 K
	


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

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

Stage 2: This LAMMPS calculation has 6 stages:

	***** LAMMPS error in LAMMPS.out *****
	ERROR on proc 7: Bond atoms 5237 5236 missing on proc 7 at step 45 (../ntopo_bond_all.cpp:61)
	**************************************

	Stage 2.1: Initialize LAMMPS for a Class 2 type of forcefield 'pcff+' (from Local::/home/medea/MD/Jobs/dir0/122/pcff+.frc)
		Current system formula: K94Na8Li30Mg616S93Cl1178O8675H16606 (K94Na8Li30Mg616S93Cl1178O8675H16606)
		The nonbond terms are handled with a cutoff at 9.5 Angstrom.
		The long-range Coulomb interactions are handled with the pppm method to a precision of 0.00001.
		The long-range van der Waals interactions are included via tail corrections.
	
	Stage 2.2: Minimize using conjugate gradients and linesearch fast
	                Relative energy convergence: 0.0
	                          Force convergence: 1.0
	                      Maximum atomic motion: 0.05
	               Maximum number of iterations: 1000
	        Maximum number of force evaluations: 10000
	

The LAMMPS minimization appears to have failed drastically. You might check Minimization.out to see what happened.
Error in stage md-lammps-stage-e9041d74-9aaf-4a37-a544-35cacf2b468e analyze: Stage 2.2: The LAMMPS minimization appears to have failed drastically. You might check Minimization.out to see what happened.
Stage 2.2: The LAMMPS minimization appears to have failed drastically. You might check Minimization.out to see what happened.
    while executing
"error "Stage $stageid: The LAMMPS minimization appears to have failed drastically. You might check Minimization.out to see what happened.""
    (object "::minimize0" method "::MD::LAMMPS::Stage::Minimize::analyze" body line 101)
    invoked from within
"::minimize0 analyze ::system0"
    ("eval" body line 1)
    invoked from within
"eval ::minimize0 $args"
    (procedure "md-lammps-stage-e9041d74-9aaf-4a37-a544-35cacf2b468e" line 1)
    invoked from within
"$stage analyze $sys"

Entire job completed on Fri 30 June 2023 at 13:01:36 CST after 18 s (0:00:18)
and running 1 tasks.