[Sun Jun 25 10:42:07 CST 2023] [MD] [warn] 'Starting MedeA Core 3.6.0'

Forcefield set to:   pcff+
  File: Local::/home/medea/MD/Jobs/dir0/85/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 2 stages:

	Stage 2.1: Initialize LAMMPS for a Class 2 type of forcefield 'pcff+' (from Local::/home/medea/MD/Jobs/dir0/85/pcff+.frc)
		Current system formula: Mg12S12O120H144 (MgSO10H12)
		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
	


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

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

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/dir0/85/pcff+.frc)
		Current system formula: Mg12S12O120H144 (MgSO10H12)
		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
	

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

		The minimization finished after 204 steps ending because the force tolerance

		      Property         Value      Units     
		------------------  ---------- -----------  
		            nSteps:        204              
		      Initial Fmax:     1026.6 kJ/mol/Ang   
		              Fmax:        0.6 kJ/mol/Ang   
		      Initial Frms:      500.0 kJ/mol/Ang   
		              Frms:        0.2 kJ/mol/Ang   
		                 P:    -2740.1 atm          
		                 V:     5747.7 Ang^3        
		               rho:     0.7920 g/mL         
		               Sxx:     7481.8 atm          
		               Syy:      505.8 atm          
		               Szz:      232.8 atm          
		               Syz:        0.1 atm          
		               Sxz:       -3.7 atm          
		               Sxy:    -1887.4 atm          
		      Initial Epot:   -30768.6 kJ/mol       
		              Epot:   -39866.9 kJ/mol       
		                 a:     9.8937 Ang          
		                 b:    25.5783 Ang          
		                 c:    23.1000 Ang          
		             alpha:      90.00 degree       
		              beta:      90.00 degree       
		             gamma:     100.51 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 2 core(s) on Sun 25 June 2023 at 10:42:15 CST after 3 s (0:00:03)


Entire job completed on Sun 25 June 2023 at 10:42:15 CST after 3 s (0:00:03)
and running 1 tasks.