#-------------------------------------------------------------------------------
# Stage 1.2: Minimization
#-------------------------------------------------------------------------------
min_style cg
min_modify dmax 0.05 line quadratic
reset_timestep 0
thermo_style custom step fmax fnorm press vol v_sysdensity v_sxx v_syy v_szz v_syz v_sxz v_sxy pe v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_sum_fx v_sum_fy v_sum_fz
WARNING: New thermo_style command, previous thermo_modify settings will be lost (src/output.cpp:903)
dump sci all custom 1000 1.2.xyz id mol type q xs ys zs
thermo 100
minimize 0.0 1.0 1000 10000
PPPM initialization ...
using 12-bit tables for long-range coulomb (src/kspace.cpp:342)
G vector (1/distance) = 0.26630181
grid = 15 15 15
stencil order = 5
estimated absolute RMS force accuracy = 0.0015512748
estimated relative force accuracy = 4.6716181e-06
using double precision KISS FFT
3d grid and FFT values/proc = 4000 1125
Generated 0 of 21 mixed pair_coeff terms from sixthpower mixing rule
Neighbor list info ...
update every 1 steps, delay 0 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 11.5
ghost atom cutoff = 11.5
binsize = 11.5, bins = 3 3 3
1 neighbor lists, perpetual/occasional/extra = 1 0 0
(1) pair lj/class2/coul/long/kk, perpetual
attributes: full, newton off, kokkos_device
pair build: full/bin/kk/device
stencil: full/bin/3d
bin: kk/device
Per MPI rank memory allocation (min/avg/max) = 8.922 | 9.039 | 9.131 Mbytes
Step Fmax Fnorm Press Volume v_sysdensity v_sxx v_syy v_szz v_syz v_sxz v_sxy PotEng v_cella v_cellb v_cellc v_cellalpha v_cellbeta v_cellgamma v_sum_fx v_sum_fy v_sum_fz
0 23160.759 65172.74 452806.97 30476.414 1.0000099 -373177.26 -513177.9 -472065.76 83331.218 48051.603 -41267.239 89026.545 31.235943 31.235943 31.235943 1.5707963 1.5707963 1.5707963 3.6379788e-12 -2.3078428e-11 -3.0013325e-11
100 30.24498 159.30975 4289.2907 30476.414 1.0000099 -473.53916 -10209.853 -2184.4804 2555.1174 3805.5628 -3314.1031 14765.153 31.235943 31.235943 31.235943 1.5707963 1.5707963 1.5707963 2.2737368e-12 -5.0306426e-12 -9.7344355e-12
200 52.83359 128.07891 -813.69093 30476.414 1.0000099 3086.8856 -1922.0068 1276.1939 1885.0525 1894.5283 -2209.8126 12805.661 31.235943 31.235943 31.235943 1.5707963 1.5707963 1.5707963 -1.5347723e-12 1.3912427e-11 -3.126388e-12
300 16.439305 64.751331 -1558.1075 30476.414 1.0000099 2827.0723 -40.138933 1887.3891 852.20751 1080.0103 -767.9978 12168.384 31.235943 31.235943 31.235943 1.5707963 1.5707963 1.5707963 6.1515237e-12 8.9572794e-13 -6.2954086e-12
400 8.0922968 41.720463 -1234.7114 30476.414 1.0000099 2033.9989 434.78209 1235.3533 497.41576 539.69218 -225.15159 11997.213 31.235943 31.235943 31.235943 1.5707963 1.5707963 1.5707963 -5.0901505e-12 4.4630966e-13 7.4984463e-12
500 3.4101699 32.235908 -1445.7606 30476.414 1.0000099 2332.1169 626.23346 1378.9315 427.79344 316.09983 -247.23245 11936.251 31.235943 31.235943 31.235943 1.5707963 1.5707963 1.5707963 3.2085445e-12 1.1388668e-11 -1.7557511e-11
600 3.0068832 23.861874 -1787.4304 30476.414 1.0000099 2307.814 1303.0506 1751.4266 448.05087 225.53602 -302.97175 11895.001 31.235943 31.235943