======================================================================================================= Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces (SLUSCHI) Developed and maintained by Qi-Jun Hong, with early research support from Axel van de Walle (2014-2020) ======================================================================================================= Generating solid with radius = 14 *** Generate a supercell from the current unitcell *** The supercell is: 6.8772300000000000 4.8618579999999998 -11.921829999999998 -13.532334999999998 4.7042099999999998 -5.8947940000000001 7.5755000000000905E-002 14.331182000000000 5.8983299999999996 |a|,|b|,|c|,theta(bc),theta(ac),theta(ab): 14.597 15.492 15.498 82.432 90.031 89.979 In UNIT-cell, number of atoms: 6 8 total: 14 Inverse Matrix is: 3.2304639898882860E-002 -5.7435436305488148E-002 7.8938207534547770E-003 2.2847321942269658E-002 1.1936470728389924E-002 5.8108807778116389E-002 -5.5927078844825562E-002 -2.8264392288818406E-002 2.8251064884063874E-002 In SUPER-cell, number of atoms: 144 192 total: 336 POSCAR_STRCT atoms = 336 Accepted radius = 14 with 336 atoms ==================================================================================================== /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps ['Co', 'O'] elements: ['Co', 'O'] counts: [144, 192] solid atom IDs: 1:336 liquid atom IDs: 337:672 Original Tm = 1000.0 New temp = 500 New temp_end = 2000 500, 2000, 1 Adaptive temp step = 500 500 Start running job (temp, id) 500 1000 ... Using closest available scale or default: 1.0 ============================== Iteration 1 Current scale = 1.0 Pressure = -6075.263370 Step reduced to 0.005 New scale = 0.995 ============================== Iteration 2 Current scale = 0.995 Pressure = 13100.512590 Step reduced to 0.0025 New scale = 0.9974999999999999 ============================== Iteration 3 Current scale = 0.9974999999999999 Pressure = 5094.240614 New scale = 0.9999999999999999 ============================== Iteration 4 Current scale = 0.9999999999999999 Pressure = -5994.881660 Step reduced to 0.00125 New scale = 0.9987499999999999 ============================== Iteration 5 Current scale = 0.9987499999999999 Pressure = -3639.712810 Converged! Now running full trajectory... Completed! ============================== 1000 Start running job (temp, id) 1000 1000 ... Using closest available scale or default: 0.9987499999999999 ============================== Iteration 1 Current scale = 0.9987499999999999 Pressure = 68013.660400 New scale = 1.0087499999999998 ============================== Iteration 2 Current scale = 1.0087499999999998 Pressure = 39145.436500 New scale = 1.0187499999999998 ============================== Iteration 3 Current scale = 1.0187499999999998 Pressure = 8120.927020 New scale = 1.0287499999999998 ============================== Iteration 4 Current scale = 1.0287499999999998 Pressure = -3257.418670 Converged! Now running full trajectory... Completed! ============================== 1500 Start running job (temp, id) 1500 1000 ... Using closest available scale or default: 1.0287499999999998 ============================== Iteration 1 Current scale = 1.0287499999999998 Pressure = 24247.874430 New scale = 1.0387499999999998 ============================== Iteration 2 Current scale = 1.0387499999999998 Pressure = 2569.808440 Converged! Now running full trajectory... Completed! ============================== 2000 Start running job (temp, id) 2000 1000 ... Using closest available scale or default: 1.0387499999999998 ============================== Iteration 1 Current scale = 1.0387499999999998 Pressure = 25203.194700 New scale = 1.0487499999999998 ============================== Iteration 2 Current scale = 1.0487499999999998 Pressure = 10587.433000 New scale = 1.0587499999999999 ============================== Iteration 3 Current scale = 1.0587499999999999 Pressure = 423.926300 Converged! Now running full trajectory... Completed! ============================== 500, 500, 1 Adaptive temp step = 100 500 Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.out Collected 4 folders Wrote phase_pred.csv Label counts: solid = 2 liquid = 2 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1500 | 0 | 1 | 1 2000 | 0 | 1 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 1007.98 K Uncertainty = 7585.35 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 1007.9760405000000 7597.0224641539935 500 1 0 1 1000 1 0 1 1500 0 1 1 2000 0 1 1 === Find next job to run === next job: 1 MD duplicate(s) at 1250.0000000000000 K 1250, 1250, 1 Adaptive temp step = 100 1250 Start running job (temp, id) 1250 1000 ... Using closest available scale or default: 1.0287499999999998 ============================== Iteration 1 Current scale = 1.0287499999999998 Pressure = 8819.629330 New scale = 1.0387499999999998 ============================== Iteration 2 Current scale = 1.0387499999999998 Pressure = -5966.494842 Step reduced to 0.005 New scale = 1.03375 ============================== Iteration 3 Current scale = 1.03375 Pressure = 2591.546193 Converged! Now running full trajectory... Completed! ============================== Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.out Collected 5 folders Wrote phase_pred.csv Label counts: solid = 2 liquid = 3 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1250 | 0 | 1 | 1 1500 | 0 | 1 | 1 2000 | 0 | 1 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 1007.98 K Uncertainty = 7611.54 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 1007.9760405000000 7612.6949790676135 500 1 0 1 1000 1 0 1 1250 0 1 1 1500 0 1 1 2000 0 1 1 === Find next job to run === next job: 1 MD duplicate(s) at 1125.0000000000000 K 1125, 1125, 1 Adaptive temp step = 100 1125 Start running job (temp, id) 1125 1000 ... Using closest available scale or default: 1.0287499999999998 ============================== Iteration 1 Current scale = 1.0287499999999998 Pressure = 2117.773400 Converged! Now running full trajectory... Completed! ============================== Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.out Collected 6 folders Wrote phase_pred.csv Label counts: solid = 3 liquid = 3 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1125 | 1 | 0 | 1 1250 | 0 | 1 | 1 1500 | 0 | 1 | 1 2000 | 0 | 1 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 1154.40 K Uncertainty = 7382.90 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 1154.4034420000000 7384.6683707694556 500 1 0 1 1000 1 0 1 1125 1 0 1 1250 0 1 1 1500 0 1 1 2000 0 1 1 === Find next job to run === next job: 4 MD duplicate(s) at 1125.0000000000000 K next job: 4 MD duplicate(s) at 1250.0000000000000 K 1125, 1125, 4 Adaptive temp step = 100 1125 Start running job (temp, id) 1125 1100 ... Using scale from current temperature folder: 1.0287499999999998 ============================== Iteration 1 Current scale = 1.0287499999999998 Pressure = 5557.988115 New scale = 1.0387499999999998 ============================== Iteration 2 Current scale = 1.0387499999999998 Pressure = -14297.512778 Step reduced to 0.005 New scale = 1.03375 ============================== Iteration 3 Current scale = 1.03375 Pressure = -9511.943690 New scale = 1.02875 ============================== Iteration 4 Current scale = 1.02875 Pressure = 1053.295790 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 1125 1200 ... Using scale from current temperature folder: 1.02875 ============================== Iteration 1 Current scale = 1.02875 Pressure = 283.042040 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 1125 1300 ... Using scale from current temperature folder: 1.02875 ============================== Iteration 1 Current scale = 1.02875 Pressure = 1917.784290 Converged! Now running full trajectory... Completed! ============================== 1250, 1250, 4 Adaptive temp step = 100 1250 Start running job (temp, id) 1250 1100 ... Using scale from current temperature folder: 1.03375 ============================== Iteration 1 Current scale = 1.03375 Pressure = -368.327736 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 1250 1200 ... Using scale from current temperature folder: 1.03375 ============================== Iteration 1 Current scale = 1.03375 Pressure = -733.534344 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 1250 1300 ... Using scale from current temperature folder: 1.03375 ============================== Iteration 1 Current scale = 1.03375 === DFT corrections begin === === PBE correction === N rows with PBE energy = 12 MT_LMP = 1182.9929595602257 STD_LMP = 48.9729336593934 SOLID (PBE present only): lammps_poteng_eV_per_atom = -5.87866535 PBE_energy_eV_per_atom = -6.54946387 N_solid_PBE = 8 SEM_lammps_solid_PBE = 7.63643444e-03 eV/atom SEM_PBE_solid = 9.13992402e-03 eV/atom LIQUID (PBE present only): lammps_poteng_eV_per_atom = -5.81677121 PBE_energy_eV_per_atom = -6.48291957 N_liquid_PBE = 4 SEM_lammps_liquid_PBE = 1.31522953e-02 eV/atom SEM_PBE_liquid = 1.35107354e-02 eV/atom DH_LMP_raw_PBE = 0.06189414 eV/atom DH_LMP_PBE = 0.01634150 eV/atom DH_PBE = 0.02099165 eV/atom STD_DH_LMP_PBE = 1.52084846e-02 eV/atom STD_DH_PBE = 1.63119031e-02 eV/atom COV_DH_PBE_LMP = 2.36156112e-04 (eV/atom)^2 Cp_solid_PBE = 3.06638393e-04 eV/atom/K Cp_liquid_PBE = 3.41221429e-04 eV/atom/K Cp_avg_PBE = 3.23929911e-04 eV/atom/K DeltaT_PBE = 140.62 K DH_raw_PBE = 0.06654430 eV/atom MT_PBE = 1519.62682786 K STD_PBE = 467.94352141 K === R2SCAN correction === N rows with R2SCAN energy = 12 MT_LMP = 1182.9929595602257 STD_LMP = 48.9729336593934 SOLID (R2SCAN present only): lammps_poteng_eV_per_atom = -5.87866535 R2SCAN_energy_eV_per_atom = -9.90138283 N_solid_R2SCAN = 8 SEM_lammps_solid_R2SCAN = 7.63643444e-03 eV/atom SEM_R2SCAN_solid = 1.38061580e-02 eV/atom LIQUID (R2SCAN present only): lammps_poteng_eV_per_atom = -5.81677121 R2SCAN_energy_eV_per_atom = -9.80919916 N_liquid_R2SCAN = 4 SEM_lammps_liquid_R2SCAN = 1.31522953e-02 eV/atom SEM_R2SCAN_liquid = 2.00539486e-02 eV/atom DH_LMP_raw_R2SCAN = 0.06189414 eV/atom DH_LMP_R2SCAN = 0.01634150 eV/atom DH_R2SCAN = 0.04663103 eV/atom STD_DH_LMP_R2SCAN = 1.52084846e-02 eV/atom STD_DH_R2SCAN = 2.43468859e-02 eV/atom COV_DH_R2SCAN_LMP = 3.37036385e-04 (eV/atom)^2 Cp_solid_R2SCAN = 3.06638393e-04 eV/atom/K Cp_liquid_R2SCAN = 3.41221429e-04 eV/atom/K Cp_avg_R2SCAN = 3.23929911e-04 eV/atom/K DeltaT_R2SCAN = 140.62 K DH_raw_R2SCAN = 0.09218367 eV/atom MT_R2SCAN = 3375.71125391 K STD_R2SCAN = 1707.57305083 K === DFT corrections end === Pressure = 3715.231740 Converged! Now running full trajectory... Completed! ============================== Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.out Collected 12 folders Wrote phase_pred.csv Label counts: solid = 6 liquid = 6 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1125 | 3 | 1 | 4 1250 | 1 | 3 | 4 1500 | 0 | 1 | 1 2000 | 0 | 1 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 1184.41 K Uncertainty = 3349.79 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 1184.4100810000000 3347.1334869078760 500 1 0 1 1000 1 0 1 1125 3 1 4 1250 1 3 4 1500 0 1 1 2000 0 1 1 === Find next job to run === next job: 4 MD duplicate(s) at 1000.0000000000000 K next job: 4 MD duplicate(s) at 1125.0000000000000 K next job: 4 MD duplicate(s) at 1125.0000000000000 K next job: 4 MD duplicate(s) at 1250.0000000000000 K next job: 1 MD duplicate(s) at 1375.0000000000000 K next job: 4 MD duplicate(s) at 1000.0000000000000 K next job: 4 MD duplicate(s) at 1125.0000000000000 K 1000, 1000, 4 Adaptive temp step = 100 1000 Start running job (temp, id) 1000 1100 ... Using scale from current temperature folder: 1.0287499999999998 ============================== Iteration 1 Current scale = 1.0287499999999998 Pressure = -2216.785229 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 1000 1200 ... Using scale from current temperature folder: 1.0287499999999998 ============================== Iteration 1 Current scale = 1.0287499999999998 Pressure = -4829.284003 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 1000 1300 ... Using scale from current temperature folder: 1.0287499999999998 ============================== Iteration 1 Current scale = 1.0287499999999998 Pressure = -2583.240680 Converged! Now running full trajectory... Completed! ============================== 1125, 1125, 4 Adaptive temp step = 100 1125 1125, 1125, 4 Adaptive temp step = 100 1125 1250, 1250, 4 Adaptive temp step = 100 1250 1375, 1375, 1 Adaptive temp step = 100 1375 Start running job (temp, id) 1375 1000 ... Using closest available scale or default: 1.0387499999999998 ============================== Iteration 1 Current scale = 1.0387499999999998 Pressure = -357.683170 Converged! Now running full trajectory... Completed! ============================== 1000, 1000, 4 Adaptive temp step = 100 1000 1125, 1125, 4 Adaptive temp step = 100 1125 Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.out Collected 16 folders Wrote phase_pred.csv Label counts: solid = 9 liquid = 7 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 |00 | 4 | 0 | 4 1125 | 3 | 1 | 4 1250 | 1 | 3 | 4 1375 | 0 | 1 | 1 1500 | 0 | 1 | 1 2000 | 0 | 1 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 1221.58 K Uncertainty = 124.96 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 1222.0112843106178 126.41980579246118 500 1 0 1 1000 4 0 4 1125 3 1 4 1250 1 3 4 1375 0 1 1 1500 0 1 1 2000 0 1 1 === Find next job to run === next job: 4 MD duplicate(s) at 1000.0000000000000 K next job: 4 MD duplicate(s) at 1125.0000000000000 K next job: 4 MD duplicate(s) at 1125.0000000000000 K next job: 4 MD duplicate(s) at 1250.0000000000000 K next job: 4 MD duplicate(s) at 1250.0000000000000 K next job: 4 MD duplicate(s) at 1375.0000000000000 K next job: 4 MD duplicate(s) at 1250.0000000000000 K next job: 4 MD duplicate(s) at 1375.0000000000000 K 1000, 1000, 4 Adaptive temp step = 100 1000 1125, 1125, 4 Adaptive temp step = 100 1125 1125, 1125, 4 Adaptive temp step = 100 1125 1250, 1250, 4 Adaptive temp step = 100 1250 1250, 1250, 4 Adaptive temp step = 100 1250 1375, 1375, 4 Adaptive temp step = 100 1375 Start running job (temp, id) 1375 1100 ... Using scale from current temperature folder: 1.0387499999999998 ============================== Iteration 1 Current scale = 1.0387499999999998 Pressure = 421.284330 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 1375 1200 ... Using scale from current temperature folder: 1.0387499999999998 ============================== Iteration 1 Current scale = 1.0387499999999998 Pressure = -2153.667530 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 1375 1300 ... Using scale from current temperature folder: 1.0387499999999998 ============================== Iteration 1 Current scale = 1.0387499999999998 Pressure = 1796.696140 Converged! Now running full trajectory... Completed! ============================== 1250, 1250, 4 Adaptive temp step = 100 1250 1375, 1375, 4 Adaptive temp step = 100 1375 Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.out Collected 19 folders Wrote phase_pred.csv Label counts: solid = 9 liquid = 10 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 4 | 0 | 4 1125 | 3 | 1 | 4 1250 | 1 | 3 | 4 1375 | 0 | 4 | 4 1500 | 0 | 1 | 1 2000 | 0 | 1 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 1183.06 K Uncertainty = 49.06 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 1182.9544325148863 48.849449580591418 500 1 0 1 1000 4 0 4 1125 3 1 4 1250 1 3 4 1375 0 4 4 1500 0 1 1 2000 0 1 1 current fit 1 1182.9544325148863 48.849449580591418 possibilities: current fit 1 1183.0492491821985 49.002078549917769 possibilities: MP accuracy achieved. Stopping code... summary.out ====================================================================================================================================================== folder poteng [eV/atom] kineng [eV/atom] temp [K] volume [Ang^3/atom] press [bar] energy_slope energy_dir diffusion [cm^2/s] spg ------ ---------------- ---------------- ----------- ------------------- ------------- ------------ ---------- ------------------ ------ 1000/1 -5.870508 0.131080 1015.593875 10.569395 1898.582529 -0.00001299 down 2.230e-06 P1 (1) 1000/2 -5.935113 0.130841 1013.738308 10.299533 -4285.210415 -0.00002078 down 8.160e-07 P1 (1) 1000/3 -5.902755 0.133399 1033.554997 10.424153 -3845.244233 -0.00001496 down 1.500e-06 P1 (1) 1000/4 -5.879312 0.130599 1011.859967 10.495532 873.592418 -0.00001347 down 1.650e-06 P1 (1) 1125/1 -5.837235 0.149017 1154.563850 10.789068 -2699.174039 -0.00001051 down 1.720e-06 P1 (1) 1125/2 -5.838453 0.147584 1143.460345 10.765395 -768.940056 -0.00001142 down 2.580e-06 P1 (1) 1125/3 -5.836488 0.146836 1137.662010 10.780348 -6828.181345 -0.00001039 down 4.390e-06 P1 (1) 1125/4 -5.856703 0.148566 1151.068730 10.717854 -15633.663250 -0.00001631 down 1.560e-06 P1 (1) 1250/1 -5.821410 0.165345 1281.067755 10.810577 -6467.731518 -0.00001154 down 5.010e-06 P1 (1) 1250/2 -5.783904 0.161830 1253.834440 11.049625 -8432.661668 -0.00000937 down 3.530e-06 P1 (1) 1250/3 -5.815828 0.163787 1269.002555 10.926615 -14865.645290 -0.00001531 down 2.500e-06 P1 (1) 1250/4 -5.772451 0.163006 1262.945545 11.176807 -13598.754080 -0.00000836 down 4.350e-06 P1 (1) 1375/1 -5.745271 0.179276 1389.004215 11.265139 -11601.569335 -0.00000683 down 5.670e-06 P1 (1) 1375/2 -5.745297 0.180642 1399.587280 11.351454 -11635.973904 -0.00000884 down 5.890e-06 P1 (1) 1375/3 -5.750579 0.178970 1386.634355 11.222588 -6282.844487 -0.00000826 down 3.280e-06 P1 (1) 1375/4 -5.722092 0.178721 1384.707015 11.411535 -7324.589900 -0.00000451 down 7.860e-06 P1 (1) 1500/1 -5.657074 0.194344 1505.751075 11.678142 -371.500686 0.00000346 up 1.030e-05 P1 (1) 2000/1 -5.446887 0.256688 1988.785640 13.142704 13682.888540 0.00000310 up 6.660e-05 P1 (1) 500/1 -6.015176 0.064645 500.861395 10.087957 -11390.921615 0.00000066 up 1.090e-06 P1 (1) ====================================================================================================================================================== Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/summary.out Collected 19 folders Wrote phase_pred.csv Label counts: solid = 9 liquid = 10 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 4 | 0 | 4 1125 | 3 | 1 | 4 1250 | 1 | 3 | 4 1375 | 0 | 4 | 4 1500 | 0 | 1 | 1 2000 | 0 | 1 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 1182.99 K Uncertainty = 48.97 K ==================================== Wrote /data/qhong7/qhong7/sluschi_auto/f674c688-2000-4497-abe9-187cff340078/Co6O8/Dir_lammps/cost_table.out Collected 53 log files ==================================== Computational cost summary: Number of trajectories (temp/id) = 19 Total log files (incl. subruns) = 53 Total wall time = 4:54:27 Total seconds = 17667 Total GPU hours = 4.91 ====================================