[Thu Oct 05 14:49:40 CST 2023] [MD] [warn] 'Starting MedeA Core 3.6.0'

Forcefield set to:   pcff+
  File: Local::/home/medea/MD/Jobs/dir500/621/pcff+.frc 	 md5 sum: 271FB553B535FE0449E31A6F8A0898D3

MedeA version 3.6.0

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

Stage 1: Variables
	   tstep = 1 fs
	       T = 298.2 K
	       P = 1 bar

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/dir500/621/pcff+.frc)
		Current system formula: K10Cl10 (KCl)
		The nonbond terms are handled with a cutoff at 12 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: 3000
	        Maximum number of force evaluations: 10000
	


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

Stage 1: Variables
	   tstep = 1 fs
	       T = 298.2 K
	       P = 1 bar

Stage 2: This LAMMPS calculation has 2 stages:

	The forcefield atoms types and charges were set automatically for pcff+

	Stage 2.1: Initialize LAMMPS for a Class 2 type of forcefield 'pcff+' (from Local::/home/medea/MD/Jobs/dir500/621/pcff+.frc)
		Current system formula: K10Cl10 (KCl)
		The nonbond terms are handled with a cutoff at 12 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: 3000
	        Maximum number of force evaluations: 10000
	

Note: 2.2_Minimization.out contains warning messages from LAMMPS - examine this file for additional information.

		The minimization finished after 1 steps ending because the force tolerance

		      Property         Value      Units     
		------------------  ---------- -----------  
		            nSteps:          1              
		      Initial Fmax:        3.1 kJ/mol/Ang   
		              Fmax:        0.8 kJ/mol/Ang   
		      Initial Frms:        1.2 kJ/mol/Ang   
		              Frms:        0.3 kJ/mol/Ang   
		                 P:    -1045.3 atm          
		                 V:      900.3 Ang^3        
		               rho:     1.3750 g/mL         
		               Sxx:     1587.8 atm          
		               Syy:     1587.8 atm          
		               Szz:      -39.8 atm          
		               Syz:        0.0 atm          
		               Sxz:        0.0 atm          
		               Sxy:        0.0 atm          
		      Initial Epot:    -7043.3 kJ/mol       
		              Epot:    -7043.4 kJ/mol       
		                 a:     4.4867 Ang          
		                 b:     4.4867 Ang          
		                 c:    44.7257 Ang          
		             alpha:      90.00 degree       
		              beta:      90.00 degree       
		             gamma:      90.00 degree       
		            sum_fx:       -0.0 kJ/mol/Ang   
		            sum_fy:       -0.0 kJ/mol/Ang   
		            sum_fz:       -0.0 kJ/mol/Ang   


	LAMMPS stage successfully completed on 1 core(s) on Thu 05 October 2023 at 14:49:48 CST after 3 s (0:00:03)


Entire job completed on Thu 05 October 2023 at 14:49:48 CST after 3 s (0:00:03)
and running 1 tasks.