[Fri Apr 07 08:57:16 CST 2023] [MD] [warn] 'Starting MedeA Core 3.6.0' MedeA version 3.6.0 #------------------------------------------------------------------------------- # This calculation has 1 stage #------------------------------------------------------------------------------- Stage 1: VASP 6 #------------------------------------------------------------------------------- # Running the calculation #------------------------------------------------------------------------------- Stage 1: VASP 6 Sucessfully opened MedeA database from /home/medea/MD/Databases/MedeA.db VASP 6 CALCULATION PROTOCOL: ============================ 1. Geometry optimization (atom positions) VASP parameters =============== This is a calculation based on density functional theory and the GGA-PBE exchange-correlation functional for describing the interactions. Van der Waals interactions are added by means of a forcefield (DFT+D2 approach of S. Grimme). Since no magnetic moments are in the model, this is a non-magnetic calculation using 'accurate' precision and a user-defined planewave cutoff energy of 750.000 eV. The electronic iterations convergence is 1.00E-05 eV using the Normal (blocked Davidson) algorithm and reciprocal space projection operators. The requested k-spacing is 0.4 per Angstrom, which leads to a 3x2x1 mesh. This corresponds to actual k-spacings of 0.290 x 0.317 x 0.242 per Angstrom. The k-mesh is forced to be centered on the gamma point. Using Gaussian smearing with a width of 0.05 eV. Other non-default parameters: Number of steps is 500 ========================================== Using version 4.0 GGA-PBE / PAW potentials: Mg PAW_PBE Mg 13Apr2007 S PAW_PBE S 06Sep2000 O PAW_PBE O 08Apr2002 H PAW_PBE H 15Jun2001 There are 4 symmetry-unique k-points The plane wave cutoff is 750.00 eV stdout ========================================================= ========================================================= !!!! WARNING MESSAGES !!!! ========================================================= WARNING: The convergence criterion for the geometry optimization is not met after 500 steps! Whether the geometry is sufficiently converged can be assessed from the forces/stresses below and from VASP.out or OSZICAR.out. ========================================================= ========================================================= VASP energy: -505.102067 eV for Mg4S4O40H48 cell Non-dispersive: -499.644227 eV Van der Waals: -5.457840 eV Initial VASP energy: -500.123370 eV for Mg4S4O40H48 cell Relaxation energy: -4.978697 eV gained after 500 optimization steps. Electronic contributions: Empirical Formula Cell MgSO10H12 (MgSO10H12)4 ----------------- ----------------- VASP Energy -126.275517 -505.102067 eV = -12183.732 -48734.929 kJ/mol Cell parameters: Parameter Value ---------- ------------ a 7.210470 b 9.900590 c 26.000000 alpha 90.000000 beta 90.000000 gamma 90.000000 Volume 1856.085587 Ang^3 Density: 0.818 Mg/m^3 The pressure given below is exerted by the system according to its volume. Positive pressure would cause expansion during full geometry optimization. Pressure: 231.000 MPa = 2.310 kbar XX YY ZZ YZ XZ XY Stress: -522.817 -242.422 70.772 -34.751 -45.804 165.965 MPa = -5.228 -2.424 0.708 -0.348 -0.458 1.660 kbar The stress tensor above is imposed on the system, i.e. negative values of diagonal components would cause expansion of the corresponding lattice parameter upon full geometry optimization. The pressure and stress include only electronic terms, i.e. the vibrational, temperature and other terms are not included here. Fractional Coordinates: Atom Initial Coordinates Final Coordinates ----- -------- -------- -------- -------- -------- -------- Mg1 0.0000 0.0000 0.5883 -0.0038 -0.0184 0.5827 Mg2 0.5000 0.5000 0.5883 0.4962 0.4816 0.5827 Mg3 0.9387 0.9000 0.8182 0.9323 0.9284 0.8158 Mg4 0.4387 0.4000 0.8182 0.4323 0.4284 0.8158 S1 0.4465 0.8209 0.7016 0.4379 0.8273 0.7314 S2 0.5535 0.1791 0.4750 0.5759 0.1321 0.4950 S3 0.9465 0.3209 0.7016 0.9379 0.3273 0.7314 S4 0.0535 0.6791 0.4750 0.0759 0.6321 0.4950 O1 0.0943 0.2189 0.7131 0.1095 0.2451 0.7275 O2 0.9057 0.7811 0.4635 0.9194 0.7044 0.4717 O3 0.5943 0.7189 0.7131 0.6095 0.7451 0.7275 O4 0.4057 0.2811 0.4635 0.4194 0.2044 0.4717 O6 0.4410 0.9239 0.7427 0.4288 0.8757 0.7891 O7 0.5590 0.0761 0.4338 0.6159 0.0023 0.4704 O9 0.9410 0.4239 0.7427 0.9288 0.3757 0.7891 O10 0.0590 0.5761 0.4338 0.1159 0.5023 0.4704 O11 0.4905 0.8861 0.6508 0.4437 0.9494 0.7007 O12 0.5095 0.1139 0.5257 0.5244 0.1004 0.5519 O13 0.9905 0.3861 0.6508 0.9437 0.4494 0.7007 O14 0.0095 0.6139 0.5257 0.0244 0.6004 0.5519 O15 0.2629 0.7520 0.6970 0.2744 0.7407 0.7217 O16 0.7371 0.2480 0.4795 0.7451 0.2212 0.4968 O17 0.7629 0.2520 0.6970 0.7744 0.2407 0.7217 O18 0.2371 0.7480 0.4795 0.2451 0.7212 0.4968 O19 0.2203 0.0715 0.6304 0.1672 0.0588 0.6415 O20 0.7797 0.9285 0.5462 0.8052 0.8736 0.5399 O21 0.7203 0.5715 0.6304 0.6672 0.5588 0.6415 O22 0.2797 0.4285 0.5462 0.3052 0.3736 0.5399 H1 0.1885 0.1238 0.6613 0.1458 0.1469 0.6570 H2 0.8115 0.8762 0.5152 0.8570 0.8045 0.5145 H3 0.6885 0.6238 0.6613 0.6458 0.6469 0.6570 H4 0.3115 0.3762 0.5152 0.3570 0.3045 0.5145 H5 0.3238 0.0098 0.6389 0.2692 0.0155 0.6601 H6 0.6762 0.9902 0.5376 0.7290 0.9284 0.5142 H7 0.8238 0.5098 0.6389 0.7692 0.5155 0.6601 H8 0.1762 0.4902 0.5376 0.2290 0.4284 0.5142 O23 0.3295 0.5053 0.6522 0.2598 0.5016 0.6325 O24 0.6705 0.4947 0.5243 0.7045 0.4713 0.5335 O25 0.8295 0.0053 0.6522 0.7598 0.0016 0.6325 O26 0.1705 0.9947 0.5243 0.2045 0.9713 0.5335 H9 0.2103 0.4564 0.6491 0.1622 0.4860 0.6065 H10 0.7897 0.5436 0.5274 0.8238 0.5189 0.5393 H11 0.7103 0.9564 0.6491 0.6622 0.9860 0.6065 H12 0.2897 0.0436 0.5274 0.3238 0.0189 0.5393 H13 0.3031 0.5878 0.6720 0.2368 0.5951 0.6427 H14 0.6969 0.4122 0.5046 0.7265 0.3919 0.5111 H15 0.8031 0.0878 0.6720 0.7368 0.0951 0.6427 H16 0.1969 0.9122 0.5046 0.2265 0.8919 0.5111 O27 0.0556 0.8007 0.6074 0.0940 0.7919 0.6153 O28 0.9444 0.1993 0.5692 0.9668 0.1961 0.5712 O29 0.5556 0.3007 0.6074 0.5940 0.2919 0.6153 O30 0.4444 0.6993 0.5692 0.4668 0.6961 0.5712 H17 0.1372 0.7740 0.6359 0.2253 0.8001 0.6057 H18 0.8628 0.2260 0.5407 0.8801 0.2057 0.5397 H19 0.6372 0.2740 0.6359 0.7253 0.3001 0.6057 H20 0.3628 0.7260 0.5407 0.3801 0.7057 0.5397 H21 0.0369 0.7241 0.5840 0.0514 0.7181 0.5898 H22 0.9631 0.2759 0.5925 0.0818 0.2431 0.5611 H23 0.5369 0.2241 0.5840 0.5514 0.2181 0.5898 H24 0.4631 0.7759 0.5925 0.5818 0.7431 0.5611 O31 0.1468 0.0316 0.7898 0.1540 0.0589 0.7994 O32 0.1468 0.7684 0.8467 0.1365 0.7890 0.8439 O33 0.6468 0.5316 0.7898 0.6540 0.5589 0.7994 O34 0.6468 0.2684 0.8467 0.6365 0.2890 0.8439 H25 0.0980 0.0931 0.7628 0.1362 0.1204 0.7688 H26 0.0980 0.7069 0.8737 0.1250 0.6996 0.8268 H27 0.5980 0.5931 0.7628 0.6362 0.6204 0.7688 H28 0.5980 0.2069 0.8737 0.6250 0.1996 0.8268 H29 0.2579 0.9891 0.7737 0.2654 0.0025 0.7917 H30 0.2579 0.8109 0.8628 0.2536 0.8213 0.8272 H31 0.7579 0.4891 0.7737 0.7654 0.5025 0.7917 H32 0.7579 0.3109 0.8628 0.7536 0.3213 0.8272 O35 0.2459 0.5338 0.7894 0.2141 0.5575 0.7904 O36 0.2459 0.2662 0.8471 0.2243 0.3039 0.8449 O37 0.7459 0.0338 0.7894 0.7141 0.0575 0.7904 O38 0.7459 0.7662 0.8471 0.7243 0.8039 0.8449 H33 0.1348 0.5004 0.7711 0.1011 0.5035 0.7834 H34 0.1348 0.2996 0.8654 0.1072 0.3273 0.8261 H35 0.6348 0.0004 0.7711 0.6011 0.0035 0.7834 H36 0.6348 0.7996 0.8654 0.6072 0.8273 0.8261 H37 0.2135 0.6200 0.8060 0.2383 0.6157 0.7590 H38 0.2135 0.1800 0.8305 0.2311 0.2054 0.8387 H39 0.7135 0.1200 0.8060 0.7383 0.1157 0.7590 H40 0.7135 0.6800 0.8305 0.7311 0.7054 0.8387 O39 0.4414 0.5159 0.8838 0.4014 0.5393 0.8868 O40 0.4414 0.2841 0.7527 0.4456 0.3471 0.7448 O42 0.9414 0.0159 0.8838 0.9014 0.0393 0.8868 O43 0.9414 0.7841 0.7527 0.9456 0.8471 0.7448 H41 0.3283 0.5281 0.9045 0.3403 0.6272 0.8841 H42 0.3283 0.2719 0.7320 0.3322 0.3232 0.7257 H44 0.8283 0.0281 0.9045 0.8403 0.1272 0.8841 H45 0.8283 0.7719 0.7320 0.8322 0.8232 0.7257 H47 0.0515 0.0218 0.9062 -0.1772 -0.0144 0.9094 H48 0.0515 0.7782 0.7303 0.0555 0.8167 0.7253 H50 0.5515 0.5218 0.9062 0.3228 0.4856 0.9094 H51 0.5515 0.2782 0.7303 0.5555 0.3167 0.7253 Analytic Derivatives: Atom Derivatives fractional Derivatives Cartesian (eV/Ang) ----- -------- -------- -------- -------- -------- -------- Mg1 -0.0081 0.0038 0.0039 -0.0582 0.0376 0.1025 Mg2 -0.0081 0.0038 0.0039 -0.0582 0.0376 0.1025 Mg3 0.0042 0.0004 -0.0021 0.0304 0.0039 -0.0541 Mg4 0.0042 0.0004 -0.0021 0.0304 0.0039 -0.0541 S1 0.0037 0.0251 -0.0023 0.0264 0.2487 -0.0593 maximum gradient = 0.2570 S2 0.0094 0.0048 -0.0052 0.0679 0.0472 -0.1344 S3 0.0037 0.0251 -0.0023 0.0264 0.2487 -0.0593 S4 0.0094 0.0048 -0.0052 0.0679 0.0472 -0.1344 O1 0.0108 -0.0104 -0.0017 0.0781 -0.1031 -0.0449 O2 0.0176 0.0003 0.0007 0.1267 0.0027 0.0174 O3 0.0108 -0.0104 -0.0017 0.0781 -0.1031 -0.0449 O4 0.0176 0.0003 0.0007 0.1267 0.0027 0.0174 O6 -0.0055 -0.0038 0.0018 -0.0395 -0.0376 0.0463 O7 0.0043 0.0018 0.0005 0.0310 0.0177 0.0141 O9 -0.0055 -0.0038 0.0018 -0.0395 -0.0376 0.0463 O10 0.0043 0.0018 0.0005 0.0310 0.0177 0.0141 O11 -0.0096 -0.0118 0.0019 -0.0695 -0.1170 0.0481 O12 -0.0036 -0.0002 0.0038 -0.0257 -0.0018 0.0997 O13 -0.0096 -0.0118 0.0019 -0.0695 -0.1170 0.0481 O14 -0.0036 -0.0002 0.0038 -0.0257 -0.0018 0.0997 O15 -0.0006 -0.0006 -0.0001 -0.0041 -0.0064 -0.0025 O16 -0.0176 -0.0042 -0.0019 -0.1272 -0.0416 -0.0506 O17 -0.0006 -0.0006 -0.0001 -0.0041 -0.0064 -0.0025 O18 -0.0176 -0.0042 -0.0019 -0.1272 -0.0416 -0.0506 O19 -0.0119 0.0086 0.0016 -0.0861 0.0851 0.0416 O20 -0.0144 0.0074 -0.0014 -0.1040 0.0735 -0.0361 O21 -0.0119 0.0086 0.0016 -0.0861 0.0851 0.0416 O22 -0.0144 0.0074 -0.0014 -0.1040 0.0735 -0.0361 H1 0.0098 -0.0090 -0.0020 0.0709 -0.0893 -0.0525 H2 0.0004 -0.0047 -0.0005 0.0027 -0.0470 -0.0124 H3 0.0098 -0.0090 -0.0020 0.0709 -0.0893 -0.0525 H4 0.0004 -0.0047 -0.0005 0.0027 -0.0470 -0.0124 H5 0.0023 0.0033 0.0008 0.0166 0.0328 0.0220 H6 0.0001 -0.0079 0.0004 0.0010 -0.0785 0.0098 H7 0.0023 0.0033 0.0008 0.0166 0.0328 0.0220 H8 0.0001 -0.0079 0.0004 0.0010 -0.0785 0.0098 O23 -0.0010 -0.0026 -0.0029 -0.0075 -0.0262 -0.0746 O24 -0.0114 -0.0008 0.0008 -0.0822 -0.0077 0.0203 O25 -0.0010 -0.0026 -0.0029 -0.0075 -0.0262 -0.0746 O26 -0.0114 -0.0008 0.0008 -0.0822 -0.0077 0.0203 H9 0.0023 0.0121 -0.0006 0.0169 0.1202 -0.0164 H10 0.0125 0.0091 0.0021 0.0904 0.0905 0.0537 H11 0.0023 0.0121 -0.0006 0.0169 0.1202 -0.0164 H12 0.0125 0.0091 0.0021 0.0904 0.0905 0.0537 H13 0.0007 -0.0002 0.0011 0.0052 -0.0022 0.0287 H14 -0.0077 -0.0120 -0.0017 -0.0557 -0.1183 -0.0446 H15 0.0007 -0.0002 0.0011 0.0052 -0.0022 0.0287 H16 -0.0077 -0.0120 -0.0017 -0.0557 -0.1183 -0.0446 O27 0.0027 0.0013 0.0002 0.0191 0.0126 0.0042 O28 0.0072 -0.0020 0.0007 0.0517 -0.0197 0.0189 O29 0.0027 0.0013 0.0002 0.0191 0.0126 0.0042 O30 0.0072 -0.0020 0.0007 0.0517 -0.0197 0.0189 H17 0.0053 -0.0043 -0.0004 0.0383 -0.0422 -0.0093 H18 0.0036 0.0008 -0.0012 0.0258 0.0083 -0.0311 H19 0.0053 -0.0043 -0.0004 0.0383 -0.0422 -0.0093 H20 0.0036 0.0008 -0.0012 0.0258 0.0083 -0.0311 H21 -0.0034 -0.0030 -0.0004 -0.0246 -0.0297 -0.0102 H22 -0.0029 -0.0043 -0.0004 -0.0207 -0.0425 -0.0095 H23 -0.0034 -0.0030 -0.0004 -0.0246 -0.0297 -0.0102 H24 -0.0029 -0.0043 -0.0004 -0.0207 -0.0425 -0.0095 O31 0.0024 0.0042 -0.0012 0.0176 0.0419 -0.0311 O32 0.0045 0.0005 -0.0005 0.0325 0.0048 -0.0127 O33 0.0024 0.0042 -0.0012 0.0176 0.0419 -0.0311 O34 0.0045 0.0005 -0.0005 0.0325 0.0048 -0.0127 H25 -0.0001 -0.0009 -0.0007 -0.0006 -0.0086 -0.0184 H26 0.0003 -0.0001 0.0001 0.0025 -0.0013 0.0022 H27 -0.0001 -0.0009 -0.0007 -0.0006 -0.0086 -0.0184 H28 0.0003 -0.0001 0.0001 0.0025 -0.0013 0.0022 H29 -0.0017 0.0007 -0.0013 -0.0123 0.0067 -0.0325 H30 0.0002 0.0003 0.0010 0.0013 0.0027 0.0248 H31 -0.0017 0.0007 -0.0013 -0.0123 0.0067 -0.0325 H32 0.0002 0.0003 0.0010 0.0013 0.0027 0.0248 O35 -0.0004 0.0020 0.0018 -0.0026 0.0196 0.0474 O36 -0.0060 -0.0034 0.0007 -0.0433 -0.0334 0.0179 O37 -0.0004 0.0020 0.0018 -0.0026 0.0196 0.0474 O38 -0.0060 -0.0034 0.0007 -0.0433 -0.0334 0.0179 H33 0.0025 0.0004 -0.0005 0.0177 0.0041 -0.0131 H34 0.0026 0.0043 0.0024 0.0190 0.0423 0.0627 H35 0.0025 0.0004 -0.0005 0.0177 0.0041 -0.0131 H36 0.0026 0.0043 0.0024 0.0190 0.0423 0.0627 H37 -0.0021 -0.0026 0.0007 -0.0150 -0.0255 0.0172 H38 0.0005 0.0046 -0.0003 0.0037 0.0458 -0.0085 H39 -0.0021 -0.0026 0.0007 -0.0150 -0.0255 0.0172 H40 0.0005 0.0046 -0.0003 0.0037 0.0458 -0.0085 O39 -0.0056 -0.0074 0.0018 -0.0405 -0.0738 0.0474 O40 -0.0053 -0.0000 0.0001 -0.0386 -0.0002 0.0038 O42 -0.0056 -0.0074 0.0018 -0.0405 -0.0738 0.0474 O43 -0.0053 -0.0000 0.0001 -0.0386 -0.0002 0.0038 H41 0.0008 -0.0026 -0.0007 0.0060 -0.0254 -0.0176 H42 0.0087 0.0022 0.0007 0.0627 0.0216 0.0171 H44 0.0008 -0.0026 -0.0007 0.0060 -0.0254 -0.0176 H45 0.0087 0.0022 0.0007 0.0627 0.0216 0.0171 H47 0.0070 -0.0001 0.0009 0.0503 -0.0011 0.0239 H48 -0.0076 0.0009 -0.0006 -0.0545 0.0094 -0.0154 H50 0.0070 -0.0001 0.0009 0.0503 -0.0011 0.0239 H51 -0.0076 0.0009 -0.0006 -0.0545 0.0094 -0.0154 Atomic partial charges (electron charges): Atom s p d total ----- -------- -------- -------- -------- Mg1 0.268 0.398 0.252 0.917 Mg2 0.268 0.398 0.252 0.917 Mg3 0.264 0.394 0.247 0.905 Mg4 0.264 0.394 0.247 0.905 S1 1.055 1.908 0.809 3.772 S2 1.056 1.905 0.803 3.764 S3 1.055 1.908 0.809 3.772 S4 1.056 1.905 0.803 3.764 O1 1.268 2.906 0.016 4.191 O2 1.277 2.887 0.019 4.183 O3 1.268 2.906 0.016 4.191 O4 1.277 2.887 0.019 4.183 O6 1.262 2.887 0.011 4.160 O7 1.278 2.886 0.019 4.182 O9 1.262 2.887 0.011 4.160 O10 1.278 2.886 0.019 4.182 O11 1.279 2.890 0.020 4.189 O12 1.262 2.890 0.012 4.165 O13 1.279 2.890 0.020 4.189 O14 1.262 2.890 0.012 4.165 O15 1.271 2.904 0.017 4.191 O16 1.266 2.901 0.015 4.182 O17 1.271 2.904 0.017 4.191 O18 1.266 2.901 0.015 4.182 O19 1.235 2.987 0.013 4.235 O20 1.237 2.970 0.010 4.217 O21 1.235 2.987 0.013 4.235 O22 1.237 2.970 0.010 4.217 H1 0.155 0.006 0.000 0.162 H2 0.137 0.006 0.000 0.144 H3 0.155 0.006 0.000 0.162 H4 0.137 0.006 0.000 0.144 H5 0.151 0.006 0.000 0.158 H6 0.138 0.006 0.000 0.144 H7 0.151 0.006 0.000 0.158 H8 0.138 0.006 0.000 0.144 O23 1.242 2.963 0.014 4.219 O24 1.230 3.004 0.011 4.245 O25 1.242 2.963 0.014 4.219 O26 1.230 3.004 0.011 4.245 H9 0.149 0.006 0.000 0.155 H10 0.145 0.006 0.000 0.152 H11 0.149 0.006 0.000 0.155 H12 0.145 0.006 0.000 0.152 H13 0.155 0.006 0.000 0.161 H14 0.145 0.006 0.000 0.152 H15 0.155 0.006 0.000 0.161 H16 0.145 0.006 0.000 0.152 O27 1.243 2.953 0.012 4.208 O28 1.237 2.964 0.011 4.212 O29 1.243 2.953 0.012 4.208 O30 1.237 2.964 0.011 4.212 H17 0.154 0.006 0.000 0.160 H18 0.133 0.006 0.000 0.140 H19 0.154 0.006 0.000 0.160 H20 0.133 0.006 0.000 0.140 H21 0.134 0.006 0.000 0.141 H22 0.150 0.006 0.000 0.156 H23 0.134 0.006 0.000 0.141 H24 0.150 0.006 0.000 0.156 O31 1.236 2.978 0.011 4.225 O32 1.242 2.959 0.013 4.214 O33 1.236 2.978 0.011 4.225 O34 1.242 2.959 0.013 4.214 H25 0.139 0.006 0.000 0.146 H26 0.148 0.006 0.000 0.154 H27 0.139 0.006 0.000 0.146 H28 0.148 0.006 0.000 0.154 H29 0.145 0.006 0.000 0.151 H30 0.145 0.006 0.000 0.152 H31 0.145 0.006 0.000 0.151 H32 0.145 0.006 0.000 0.152 O35 1.236 2.980 0.011 4.227 O36 1.238 2.973 0.012 4.223 O37 1.236 2.980 0.011 4.227 O38 1.238 2.973 0.012 4.223 H33 0.147 0.006 0.000 0.154 H34 0.144 0.006 0.000 0.151 H35 0.147 0.006 0.000 0.154 H36 0.144 0.006 0.000 0.151 H37 0.137 0.006 0.000 0.144 H38 0.148 0.006 0.000 0.155 H39 0.137 0.006 0.000 0.144 H40 0.148 0.006 0.000 0.155 O39 1.241 2.964 0.014 4.218 O40 1.228 3.002 0.011 4.241 O42 1.241 2.964 0.014 4.218 O43 1.228 3.002 0.011 4.241 H41 0.154 0.006 0.000 0.160 H42 0.147 0.006 0.000 0.153 H44 0.154 0.006 0.000 0.160 H45 0.147 0.006 0.000 0.153 H47 0.155 0.006 0.000 0.161 H48 0.145 0.006 0.000 0.151 H50 0.155 0.006 0.000 0.161 H51 0.145 0.006 0.000 0.151 Analysis of the electronic structure: The system is a semiconductor with an indirect gap of 1.171 eV. The valence band (#160) maximum is located near (0.33 0.50 0.00), at -0.250 eV with respect to the Fermi level. The conduction band (#161) minimum is located near (0.00 0.00 0.00), at 0.920 eV with respect to the Fermi level. The center of the gap is located at 0.334982 eV with respect to the Fermi level. The Fermi energy is used as the zero of the energy scale. Job completed on Fri 14 April 2023 at 19:24:52 CST after 642451 s (178:27:31) Entire job completed on Fri 14 April 2023 at 19:24:52 CST after 642452 s (178:27:32) and running 1 tasks.