======================================================================================================= 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: -4.0000000000000001E-008 -4.0000000000000001E-008 -13.996394040000000 -14.141437520000000 2.8570012399999998 -2.0999999996718088E-006 2.0202071600000009 14.285006319999999 2.0999999996718088E-006 |a|,|b|,|c|,theta(bc),theta(ac),theta(ab): 13.996 14.427 14.427 86.628 90.000 90.000 In UNIT-cell, number of atoms: 1 1 total: 2 Inverse Matrix is: 1.2378167445937386E-008 -6.8749884657173563E-002 1.3749976815929215E-002 8.7526865521263331E-009 9.7227124806477418E-003 6.8058926724130886E-002 -7.1446973923577892E-002 1.6869251325115112E-010 -2.3379994391772668E-010 In SUPER-cell, number of atoms: 96 96 total: 192 POSCAR_STRCT atoms = 192 Accepted radius = 14 with 192 atoms ==================================================================================================== /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps ['Pu', 'N'] elements: ['Pu', 'N'] counts: [96, 96] solid atom IDs: 1:192 liquid atom IDs: 193:384 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 = 291.264795 Converged! Now running full trajectory... Completed! ============================== 1000 Start running job (temp, id) 1000 1000 ... Using closest available scale or default: 1.0 ============================== Iteration 1 Current scale = 1.0 Pressure = 25579.944100 New scale = 1.01 ============================== Iteration 2 Current scale = 1.01 Pressure = -9864.193830 Step reduced to 0.005 New scale = 1.0050000000000001 ============================== Iteration 3 Current scale = 1.0050000000000001 Pressure = 5895.528834 Step reduced to 0.0025 New scale = 1.0075 ============================== Iteration 4 Current scale = 1.0075 Pressure = -2659.673008 Converged! Now running full trajectory... Completed! ============================== 1500 Start running job (temp, id) 1500 1000 ... Using closest available scale or default: 1.0075 ============================== Iteration 1 Current scale = 1.0075 Pressure = 49745.534700 New scale = 1.0175 ============================== Iteration 2 Current scale = 1.0175 Pressure = 23652.832570 New scale = 1.0275 ============================== Iteration 3 Current scale = 1.0275 Pressure = 2511.648420 Converged! Now running full trajectory... Completed! ============================== 2000 Start running job (temp, id) 2000 1000 ... Using closest available scale or default: 1.0275 ============================== Iteration 1 Current scale = 1.0275 Pressure = 20905.690380 New scale = 1.0375 ============================== Iteration 2 Current scale = 1.0375 Pressure = -928.129020 Converged! Now running full trajectory... Completed! ============================== 500, 500, 1 Adaptive temp step = 100 500 Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.out Collected 4 folders Wrote phase_pred.csv Label counts: solid = 4 liquid = 0 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1500 | 1 | 0 | 1 2000 | 1 | 0 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 2044.93 K Uncertainty = 6627.74 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 2044.9288524999999 6606.7574508619236 500 1 0 1 1000 1 0 1 1500 1 0 1 2000 1 0 1 === Find next job to run === next job: 1 MD duplicate(s) at 2800.0 K 2800, 2800, 1 Adaptive temp step = 100 2800 Start running job (temp, id) 2800 1000 ... Using closest available scale or default: 1.0375 ============================== Iteration 1 Current scale = 1.0375 Pressure = 13353.516200 New scale = 1.0475 ============================== Iteration 2 Current scale = 1.0475 Pressure = 6872.786860 New scale = 1.0575 ============================== Iteration 3 Current scale = 1.0575 Pressure = -6926.764290 Step reduced to 0.005 New scale = 1.0525000000000002 ============================== Iteration 4 Current scale = 1.0525000000000002 Pressure = 3934.636060 Converged! Now running full trajectory... Completed! ============================== Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.out Collected 5 folders Wrote phase_pred.csv Label counts: solid = 4 liquid = 1 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1500 | 1 | 0 | 1 2000 | 1 | 0 | 1 2800 | 0 | 1 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 2050.41 K Uncertainty = 10806.45 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 2050.4090095999995 10811.446566381404 500 1 0 1 1000 1 0 1 1500 1 0 1 2000 1 0 1 2800 0 1 1 === Find next job to run === next job: 1 MD duplicate(s) at 2400.0000000000000 K 2400, 2400, 1 Adaptive temp step = 100 2400 Start running job (temp, id) 2400 1000 ... Using closest available scale or default: 1.0375 ============================== Iteration 1 Current scale = 1.0375 Pressure = 12135.951800 New scale = 1.0475 ============================== Iteration 2 Current scale = 1.0475 Pressure = 771.324180 Converged! Now running full trajectory... Completed! ============================== Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.out Collected 6 folders Wrote phase_pred.csv Label counts: solid = 5 liquid = 1 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1500 | 1 | 0 | 1 2000 | 1 | 0 | 1 2400 | 1 | 0 | 1 2800 | 0 | 1 | 1 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 2452.14 K Uncertainty = 10406.41 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 2452.1437833000000 10448.184372250753 500 1 0 1 1000 1 0 1 1500 1 0 1 2000 1 0 1 2400 1 0 1 2800 0 1 1 === Find next job to run === next job: 4 MD duplicate(s) at 2400.0000000000000 K next job: 4 MD duplicate(s) at 2800.0000000000000 K 2400, 2400, 4 Adaptive temp step = 100 2400 Start running job (temp, id) 2400 1100 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = -820.195710 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2400 1200 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = -1504.094200 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2400 1300 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = 3738.115190 Converged! Now running full trajectory... === DFT corrections begin === === PBE correction === N rows with PBE energy = 0 MT_LMP = 2310.9660599097733 STD_LMP = 86.86410577757076 SOLID (PBE present only): lammps_poteng_eV_per_atom = N/A PBE_energy_eV_per_atom = N/A N_solid_PBE = 0 SEM_lammps_solid_PBE = N/A SEM_PBE_solid = N/A LIQUID (PBE present only): lammps_poteng_eV_per_atom = N/A PBE_energy_eV_per_atom = N/A N_liquid_PBE = 0 SEM_lammps_liquid_PBE = N/A SEM_PBE_liquid = N/A DH_LMP_raw_PBE = N/A DH_LMP_PBE = N/A DH_PBE = N/A STD_DH_LMP_PBE = N/A STD_DH_PBE = N/A COV_DH_PBE_LMP = N/A MT_PBE = N/A STD_PBE = N/A === R2SCAN correction === N rows with R2SCAN energy = 0 MT_LMP = 2310.9660599097733 STD_LMP = 86.86410577757076 SOLID (R2SCAN present only): lammps_poteng_eV_per_atom = N/A R2SCAN_energy_eV_per_atom = N/A N_solid_R2SCAN = 0 SEM_lammps_solid_R2SCAN = N/A SEM_R2SCAN_solid = N/A LIQUID (R2SCAN present only): lammps_poteng_eV_per_atom = N/A R2SCAN_energy_eV_per_atom = N/A N_liquid_R2SCAN = 0 SEM_lammps_liquid_R2SCAN = N/A SEM_R2SCAN_liquid = N/A DH_LMP_raw_R2SCAN = N/A DH_LMP_R2SCAN = N/A DH_R2SCAN = N/A STD_DH_LMP_R2SCAN = N/A STD_DH_R2SCAN = N/A COV_DH_R2SCAN_LMP = N/A MT_R2SCAN = N/A STD_R2SCAN = N/A === DFT corrections end === Completed! ============================== 2800, 2800, 4 Adaptive temp step = 100 2800 Start running job (temp, id) 2800 1100 ... Using scale from current temperature folder: 1.0525000000000002 ============================== Iteration 1 Current scale = 1.0525000000000002 Pressure = -7109.004820 Step reduced to 0.005 New scale = 1.0475000000000003 ============================== Iteration 2 Current scale = 1.0475000000000003 Pressure = 3138.648350 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2800 1200 ... Using scale from current temperature folder: 1.0475000000000003 ============================== Iteration 1 Current scale = 1.0475000000000003 Pressure = 3554.451520 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2800 1300 ... Using scale from current temperature folder: 1.0475000000000003 ============================== Iteration 1 Current scale = 1.0475000000000003 Pressure = 9954.489860 New scale = 1.0575000000000003 ============================== Iteration 2 Current scale = 1.0575000000000003 Pressure = -8961.710792 Step reduced to 0.005 New scale = 1.0525000000000004 ============================== Iteration 3 Current scale = 1.0525000000000004 Pressure = -2724.316340 Converged! Now running full trajectory... Completed! ============================== Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/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 1500 | 1 | 0 | 1 2000 | 1 | 0 | 1 2400 | 2 | 2 | 4 2800 | 0 | 4 | 4 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 2402.54 K Uncertainty = 9490.84 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 2402.5363368000003 9465.0446297084582 500 1 0 1 1000 1 0 1 1500 1 0 1 2000 1 0 1 2400 2 2 4 2800 0 4 4 === Find next job to run === next job: 4 MD duplicate(s) at 2000.0000000000000 K next job: 4 MD duplicate(s) at 2400.0000000000000 K next job: 4 MD duplicate(s) at 2400.0000000000000 K next job: 4 MD duplicate(s) at 2800.0000000000000 K next job: 4 MD duplicate(s) at 2000.0000000000000 K next job: 4 MD duplicate(s) at 2400.0000000000000 K 2000, 2000, 4 Adaptive temp step = 100 2000 Start running job (temp, id) 2000 1100 ... Using scale from current temperature folder: 1.0375 ============================== Iteration 1 Current scale = 1.0375 Pressure = -466.138540 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2000 1200 ... Using scale from current temperature folder: 1.0375 ============================== Iteration 1 Current scale = 1.0375 Pressure = -1350.922534 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2000 1300 ... Using scale from current temperature folder: 1.0375 ============================== Iteration 1 Current scale = 1.0375 Pressure = 6403.792650 New scale = 1.0475 ============================== Iteration 2 Current scale = 1.0475 Pressure = -12857.207556 Step reduced to 0.005 New scale = 1.0425000000000002 ============================== Iteration 3 Current scale = 1.0425000000000002 Pressure = -5276.461940 New scale = 1.0375000000000003 ============================== Iteration 4 Current scale = 1.0375000000000003 Pressure = 5283.256672 Step reduced to 0.0025 New scale = 1.0400000000000003 ============================== Iteration 5 Current scale = 1.0400000000000003 Pressure = -774.011090 Converged! Now running full trajectory... Completed! ============================== 2400, 2400, 4 Adaptive temp step = 100 2400 2400, 2400, 4 Adaptive temp step = 100 2400 2800, 2800, 4 Adaptive temp step = 100 2800 2000, 2000, 4 Adaptive temp step = 100 2000 2400, 2400, 4 Adaptive temp step = 100 2400 Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.out Collected 15 folders Wrote phase_pred.csv Label counts: solid = 9 liquid = 6 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1500 | 1 | 0 | 1 2000 | 4 | 0 | 4 2400 | 2 | 2 | 4 2800 | 0 | 4 | 4 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 2412.14 K Uncertainty = 152.22 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 2411.8894190145570 151.75621075487265 500 1 0 1 1000 1 0 1 1500 1 0 1 2000 4 0 4 2400 2 2 4 2800 0 4 4 current fit 1 2411.8894190145570 151.75621075487265 possibilities: current fit 0 2411.8894190145570 151.75621075487265 possibilities: === Find next job to run === next job: 4 MD duplicate(s) at 2000.0000000000000 K next job: 4 MD duplicate(s) at 2400.0000000000000 K next job: 4 MD duplicate(s) at 2400.0000000000000 K next job: 4 MD duplicate(s) at 2800.0000000000000 K next job: 4 MD duplicate(s) at 2600.0000000000000 K next job: 8 MD duplicate(s) at 2400.0000000000000 K 2000, 2000, 4 Adaptive temp step = 100 2000 2400, 2400, 4 Adaptive temp step = 100 2400 2400, 2400, 4 Adaptive temp step = 100 2400 2800, 2800, 4 Adaptive temp step = 100 2800 2600, 2600, 4 Adaptive temp step = 100 2600 Start running job (temp, id) 2600 1000 ... Using closest available scale or default: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = 628.678659 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2600 1100 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = 2069.387280 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2600 1200 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = 1243.929340 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2600 1300 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = 5405.108480 New scale = 1.0575 ============================== Iteration 2 Current scale = 1.0575 Pressure = -1528.693610 Converged! Now running full trajectory... Completed! ============================== 2400, 2400, 8 Adaptive temp step = 100 2400 Start running job (temp, id) 2400 1400 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = 1147.908830 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2400 1500 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = 683.608732 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2400 1600 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = -1447.318770 Converged! Now running full trajectory... Completed! ============================== Start running job (temp, id) 2400 1700 ... Using scale from current temperature folder: 1.0475 ============================== Iteration 1 Current scale = 1.0475 Pressure = -977.788800 Converged! Now running full trajectory... Completed! ============================== Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.out Collected 23 folders Wrote phase_pred.csv Label counts: solid = 9 liquid = 14 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1500 | 1 | 0 | 1 2000 | 4 | 0 | 4 2400 | 2 | 6 | 8 2600 | 0 | 4 | 4 2800 | 0 | 4 | 4 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 2310.51 K Uncertainty = 86.58 K ==================================== jobs_to_run.out Jobs completed === running MPFit === Melting temperature and std error: 2310.9466073523308 86.178381389407477 500 1 0 1 1000 1 0 1 1500 1 0 1 2000 4 0 4 2400 2 6 8 2600 0 4 4 2800 0 4 4 current fit 1 2310.9466073523308 86.178381389407477 possibilities: current fit 0 2310.9466073523308 86.178381389407477 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 -12.448284 0.128374 995.737360 15.631310 -2566.130461 0.00000052 up 9.360e-09 1500/1 -12.351382 0.194439 1508.173430 15.681848 20944.011450 -0.00001054 down 2.250e-07 P1 (1) 2000/1 -12.271561 0.261606 2029.159750 16.529263 -11995.785565 -0.00002346 down 1.720e-07 P1 (1) 2000/2 -12.232356 0.260241 2018.566860 16.698028 -13493.000970 -0.00002217 down 2.590e-07 P1 (1) 2000/3 -12.271607 0.259200 2010.491820 16.193927 9461.629375 -0.00001497 down 9.900e-08 P1 (1) 2000/4 -12.238762 0.261636 2029.388095 16.789207 -19419.597115 -0.00002546 down 2.750e-07 P1 (1) 2400/1 -12.101467 0.313529 2431.898865 17.534030 -17898.032535 -0.00001443 down 2.690e-06 P1 (1) 2400/2 -12.066769 0.311064 2412.776915 17.670769 -9805.611408 -0.00000479 down 1.050e-05 P1 (1) 2400/3 -12.041913 0.308345 2391.691235 17.787037 -7563.095372 -0.00000367 down 2.550e-06 P1 (1) 2400/4 -12.034911 0.309156 2397.981190 17.812568 -7514.472625 -0.00000437 down 3.260e-06 P1 (1) 2400/5 -12.038375 0.309556 2401.085885 17.817265 -6251.891199 -0.00000125 down 1.460e-05 P1 (1) 2400/6 -12.049352 0.310594 2409.136115 17.890501 -12812.839164 -0.00000551 down 1.170e-05 P1 (1) 2400/7 -12.053454 0.312685 2425.354715 17.850203 -13802.831416 -0.00000633 down 6.240e-06 P1 (1) 2400/8 -12.063284 0.308683 2394.313835 17.681599 -11251.801940 -0.00000855 down 4.370e-06 P1 (1) 2600/1 -11.922773 0.333457 2586.473835 18.421333 1837.716318 0.00000769 up 3.060e-05 P1 (1) 2600/2 -11.932560 0.333295 2585.215690 18.313473 2550.493404 0.00000800 up 1.690e-05 P1 (1) 2600/3 -11.949996 0.336985 2613.835185 18.189142 3537.527450 0.00000898 up 2.220e-05 P1 (1) 2600/4 -11.889914 0.335706 2603.914400 18.457462 7043.438420 0.00000980 up 2.840e-05 P1 (1) 2800/1 -11.822093 0.362760 2813.763580 19.019268 6541.269188 0.00001132 up 5.610e-05 P1 (1) 2800/2 -11.826187 0.355458 2757.123705 18.808139 11577.768739 0.00001809 up 4.860e-05 P1 (1) 2800/3 -11.828661 0.359709 2790.096320 19.019556 5862.565425 0.00001198 up 5.450e-05 P1 (1) 2800/4 -11.810882 0.358856 2783.477650 19.062489 7988.824247 0.00001445 up 7.640e-05 P1 (1) 500/1 -12.519165 0.064672 501.627593 15.312190 585.358446 0.00000005 up 2.050e-09 P1 (1) ====================================================================================================================================================== Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.csv Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/summary.out Collected 23 folders Wrote phase_pred.csv Label counts: solid = 9 liquid = 14 Wrote jobs_results.out --------------------------------------------- Temp | Solid | Liquid | Total --------------------------------------------- 500 | 1 | 0 | 1 1000 | 1 | 0 | 1 1500 | 1 | 0 | 1 2000 | 4 | 0 | 4 2400 | 2 | 6 | 8 2600 | 0 | 4 | 4 2800 | 0 | 4 | 4 --------------------------------------------- ==================================== Melting Point Fit (MPFit) ==================================== Tm = 2310.97 K Uncertainty = 86.86 K ==================================== Wrote /data/qhong7/qhong7/sluschi_auto/d3872b30-4e60-4f21-b737-215ebd753c16/PuN/Dir_lammps/cost_table.out Collected 64 log files ==================================== Computational cost summary: Number of trajectories (temp/id) = 23 Total log files (incl. subruns) = 64 Total wall time = 2:46:56 Total seconds = 10016 Total GPU hours = 2.78 ====================================