null Sun 23 Dec 22:22:49 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir Job ID is set to 2gnr-1.8-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2gnr-1.8-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2gnr-1.8-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2gnr-1.8-parrot-hancs Accepted label: fp=FP Accepted label: sigfp=SIGFP Accepted label: phibest=hltofom.Phi_fom.phi Accepted label: fom=hltofom.Phi_fom.fom mtz labels taken: FP SIGFP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Parameter file /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2gnr-1.8-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2gnr-1.8-parrot-hancs ############### You are running ARP/wARP 8.0 ############### ============================================================ Please cite at least one of the publications below for the ARP/wARP application you are using: Lamzin VS, Wilson KS. (1993) Automated refinement of protein models. Acta Crystallogr D Biol Crystallogr. 49, 129-147 Morris RJ, Perrakis A. Lamzin VS. (2003) ARP/wARP and automatic interpretation of protein electron density maps. In Methods Enzymol. (Carter, C.W. & Sweet, R.M. eds.) 374, 229-244 Langer GG, Hazledine S, Wiegels T, Carolan C, Lamzin VS. (2013) Visual automated macromolecular model building. Acta Crystallogr D Biol Crystallogr. 69, 635-641 Use of Refmac is an essential part of model building with ARP/wARP. Please acknowledge the use of Refmac by citing the following publication: Murshudov GN, Skubak P, Lebedev AA, Pannu NS, Steiner RA, Nicholls RA, Winn MD, Long F, Vagin AA. (2011) REFMAC5 for the refinement of macromolecular crystal structures. Acta Crystallogr D Biol Crystallogr. 67, 355-367 ============================================================ Sun 23 Dec 22:22:59 GMT 2018 You are running ARP/wARP version 8.0 Entering warp_tracing.sh from COMMAND_LINE_SUBMISSION The working directory: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2gnr-1.8-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2gnr-1.8-parrot-hancs/arp_warp_classic.par ARP/wARP will run in subdirectory: temp_tracing Checking the estimated solvent content Computed solvent content is outside allowed range. Target number of residues/nucleotides is changed to 299 and 0 Target number of residues in the AU: 299 Target solvent content: 0.5034 Checking the provided sequence file Detected sequence length: 145 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 290 Adjusted target solvent content: 0.52 Input MTZ file: 2gnr-1.8-parrot-hancs.mtz.cad Column labels for model refinement: FP SIGFP Column labels to obtain initial map: FP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Space group number: 91 Cell parameters: 75.160 75.160 115.370 90.000 90.000 90.000 Input sequence file: 2gnr-1.8-parrot-hancs.fasta_lf Building free atoms model in initial map for 2320 target number of atoms Had to go as low as 0.40 sigma, to complete atoms search. ARP/wARP will be iterated with REFMAC5 50 refinement / model update cycles will be run in total. Atoms will be removed below 1.0 sigma in 2mFoDFc map and added above 3.2 sigma in mFoDFc map. Refmac Refinement Parameters 1 REFMAC cycle(s) with 1.0 1.0 fractional shifts damping in each cycle. Conditional restraints will be used Weight for restraints is set to AUTO Solvent mask correction will be used Anisotropic scaling with no bulk solvent correction Model Building Parameters Main chain tracing will take place every 5 refinement / model update cycles. Side chain docking will be performed from autobuilding cycle number 1 NCS extension will be performed at every building cycle. NCS restraints will be applied at each refinement cycle. Loops will be built when appropriate and at the last cycle Resolution range: 75.160 1.800 Wilson plot Bfac: 24.00 31332 reflections ( 99.81 % complete ) and 0 restraints for refining 2559 atoms. Observations/parameters ratio is 3.06 ------------------------------------------------------ Starting model: R = 0.3466 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3013 (Rfree = 0.000) for 2559 atoms. Found 97 (118 requested) and removed 69 (59 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.06 2.01 NCS extension: 0 residues added, 2587 seeds are put forward Round 1: 210 peptides, 21 chains. Longest chain 36 peptides. Score 0.721 Round 2: 239 peptides, 13 chains. Longest chain 48 peptides. Score 0.860 Round 3: 253 peptides, 8 chains. Longest chain 80 peptides. Score 0.911 Round 4: 251 peptides, 10 chains. Longest chain 64 peptides. Score 0.896 Round 5: 260 peptides, 8 chains. Longest chain 80 peptides. Score 0.917 Taking the results from Round 5 Chains 9, Residues 252, Estimated correctness of the model 99.5 % 5 chains (230 residues) have been docked in sequence Building loops using Loopy2018 9 chains (252 residues) following loop building 5 chains (230 residues) in sequence following loop building ------------------------------------------------------ 31332 reflections ( 99.81 % complete ) and 2752 restraints for refining 2419 atoms. 768 conditional restraints added. Observations/parameters ratio is 3.24 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2873 (Rfree = 0.000) for 2419 atoms. Found 111 (111 requested) and removed 60 (55 requested) atoms. Cycle 2: After refmac, R = 0.2494 (Rfree = 0.000) for 2456 atoms. Found 87 (112 requested) and removed 38 (57 requested) atoms. Cycle 3: After refmac, R = 0.2301 (Rfree = 0.000) for 2483 atoms. Found 74 (113 requested) and removed 31 (57 requested) atoms. Cycle 4: After refmac, R = 0.2209 (Rfree = 0.000) for 2513 atoms. Found 67 (114 requested) and removed 32 (58 requested) atoms. Cycle 5: After refmac, R = 0.2122 (Rfree = 0.000) for 2541 atoms. Found 59 (115 requested) and removed 30 (58 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 1.96 1.91 NCS extension: 27 residues added (11 deleted due to clashes), 2602 seeds are put forward Round 1: 261 peptides, 7 chains. Longest chain 80 peptides. Score 0.923 Round 2: 263 peptides, 7 chains. Longest chain 109 peptides. Score 0.925 Round 3: 262 peptides, 8 chains. Longest chain 80 peptides. Score 0.919 Round 4: 263 peptides, 8 chains. Longest chain 80 peptides. Score 0.919 Round 5: 263 peptides, 8 chains. Longest chain 80 peptides. Score 0.919 Taking the results from Round 2 Chains 7, Residues 256, Estimated correctness of the model 99.6 % 4 chains (239 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 27 A and 31 A 6 chains (259 residues) following loop building 3 chains (242 residues) in sequence following loop building ------------------------------------------------------ 31332 reflections ( 99.81 % complete ) and 2707 restraints for refining 2477 atoms. 653 conditional restraints added. Observations/parameters ratio is 3.16 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2232 (Rfree = 0.000) for 2477 atoms. Found 77 (109 requested) and removed 61 (57 requested) atoms. Cycle 7: After refmac, R = 0.2085 (Rfree = 0.000) for 2488 atoms. Found 75 (108 requested) and removed 27 (57 requested) atoms. Cycle 8: After refmac, R = 0.2013 (Rfree = 0.000) for 2525 atoms. Found 71 (110 requested) and removed 28 (58 requested) atoms. Cycle 9: After refmac, R = 0.1968 (Rfree = 0.000) for 2562 atoms. Found 59 (111 requested) and removed 41 (59 requested) atoms. Cycle 10: After refmac, R = 0.1930 (Rfree = 0.000) for 2577 atoms. Found 56 (109 requested) and removed 27 (59 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 1.97 1.92 NCS extension: 70 residues added (70 deleted due to clashes), 2678 seeds are put forward Round 1: 261 peptides, 7 chains. Longest chain 80 peptides. Score 0.923 Round 2: 260 peptides, 8 chains. Longest chain 80 peptides. Score 0.917 Round 3: 263 peptides, 6 chains. Longest chain 128 peptides. Score 0.930 Round 4: 261 peptides, 8 chains. Longest chain 80 peptides. Score 0.918 Round 5: 263 peptides, 6 chains. Longest chain 108 peptides. Score 0.930 Taking the results from Round 5 Chains 6, Residues 257, Estimated correctness of the model 99.6 % 4 chains (248 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 27 A and 31 A Built loop between residues 57 B and 60 B 4 chains (262 residues) following loop building 2 chains (253 residues) in sequence following loop building ------------------------------------------------------ 31332 reflections ( 99.81 % complete ) and 2616 restraints for refining 2491 atoms. 514 conditional restraints added. Observations/parameters ratio is 3.14 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2110 (Rfree = 0.000) for 2491 atoms. Found 82 (106 requested) and removed 49 (57 requested) atoms. Cycle 12: After refmac, R = 0.2012 (Rfree = 0.000) for 2521 atoms. Found 56 (104 requested) and removed 31 (58 requested) atoms. Cycle 13: After refmac, R = 0.1952 (Rfree = 0.000) for 2544 atoms. Found 60 (103 requested) and removed 27 (58 requested) atoms. Cycle 14: After refmac, R = 0.1908 (Rfree = 0.000) for 2575 atoms. Found 54 (105 requested) and removed 31 (59 requested) atoms. Cycle 15: After refmac, R = 0.1885 (Rfree = 0.000) for 2598 atoms. Found 56 (103 requested) and removed 36 (60 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 1.97 1.92 NCS extension: 0 residues added, 2618 seeds are put forward Round 1: 262 peptides, 7 chains. Longest chain 80 peptides. Score 0.924 Round 2: 263 peptides, 7 chains. Longest chain 80 peptides. Score 0.925 Round 3: 263 peptides, 7 chains. Longest chain 80 peptides. Score 0.925 Round 4: 262 peptides, 7 chains. Longest chain 80 peptides. Score 0.924 Round 5: 262 peptides, 7 chains. Longest chain 80 peptides. Score 0.924 Taking the results from Round 3 Chains 7, Residues 256, Estimated correctness of the model 99.6 % 5 chains (248 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 56 A and 60 A Built loop between residues 28 B and 31 B Built loop between residues 57 B and 60 B 4 chains (263 residues) following loop building 2 chains (255 residues) in sequence following loop building ------------------------------------------------------ 31332 reflections ( 99.81 % complete ) and 2564 restraints for refining 2522 atoms. 434 conditional restraints added. Observations/parameters ratio is 3.11 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2040 (Rfree = 0.000) for 2522 atoms. Found 81 (97 requested) and removed 42 (58 requested) atoms. Cycle 17: After refmac, R = 0.1937 (Rfree = 0.000) for 2559 atoms. Found 55 (97 requested) and removed 29 (59 requested) atoms. Cycle 18: After refmac, R = 0.1890 (Rfree = 0.000) for 2584 atoms. Found 53 (95 requested) and removed 26 (59 requested) atoms. Cycle 19: After refmac, R = 0.1843 (Rfree = 0.000) for 2606 atoms. Found 55 (96 requested) and removed 26 (60 requested) atoms. Cycle 20: After refmac, R = 0.1824 (Rfree = 0.000) for 2635 atoms. Found 47 (97 requested) and removed 32 (60 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 1.97 1.92 NCS extension: 0 residues added, 2651 seeds are put forward Round 1: 261 peptides, 7 chains. Longest chain 79 peptides. Score 0.923 Round 2: 263 peptides, 7 chains. Longest chain 79 peptides. Score 0.925 Round 3: 262 peptides, 7 chains. Longest chain 80 peptides. Score 0.924 Round 4: 265 peptides, 7 chains. Longest chain 80 peptides. Score 0.926 Round 5: 261 peptides, 7 chains. Longest chain 80 peptides. Score 0.923 Taking the results from Round 4 Chains 7, Residues 258, Estimated correctness of the model 99.6 % 5 chains (249 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 39 A and 42 A Built loop between residues 57 A and 60 A Built loop between residues 57 B and 60 B 4 chains (264 residues) following loop building 2 chains (255 residues) in sequence following loop building ------------------------------------------------------ 31332 reflections ( 99.81 % complete ) and 2575 restraints for refining 2521 atoms. 448 conditional restraints added. Observations/parameters ratio is 3.11 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2029 (Rfree = 0.000) for 2521 atoms. Found 90 (90 requested) and removed 57 (58 requested) atoms. Cycle 22: After refmac, R = 0.1926 (Rfree = 0.000) for 2553 atoms. Found 61 (90 requested) and removed 23 (59 requested) atoms. Cycle 23: After refmac, R = 0.1863 (Rfree = 0.000) for 2584 atoms. Found 57 (90 requested) and removed 23 (59 requested) atoms. Cycle 24: After refmac, R = 0.1833 (Rfree = 0.000) for 2616 atoms. Found 56 (92 requested) and removed 34 (60 requested) atoms. Cycle 25: After refmac, R = 0.1807 (Rfree = 0.000) for 2636 atoms. Found 54 (90 requested) and removed 27 (60 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 1.97 1.92 NCS extension: 0 residues added, 2664 seeds are put forward Round 1: 264 peptides, 7 chains. Longest chain 80 peptides. Score 0.926 Round 2: 263 peptides, 8 chains. Longest chain 80 peptides. Score 0.919 Round 3: 264 peptides, 8 chains. Longest chain 80 peptides. Score 0.920 Round 4: 263 peptides, 9 chains. Longest chain 80 peptides. Score 0.914 Round 5: 264 peptides, 8 chains. Longest chain 80 peptides. Score 0.920 Taking the results from Round 1 Chains 7, Residues 257, Estimated correctness of the model 99.6 % 5 chains (248 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 57 A and 60 A Built loop between residues 27 B and 31 B Built loop between residues 57 B and 60 B 4 chains (264 residues) following loop building 2 chains (255 residues) in sequence following loop building ------------------------------------------------------ 31332 reflections ( 99.81 % complete ) and 2612 restraints for refining 2543 atoms. 485 conditional restraints added. Observations/parameters ratio is 3.08 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2001 (Rfree = 0.000) for 2543 atoms. Found 87 (87 requested) and removed 46 (58 requested) atoms. Cycle 27: After refmac, R = 0.1900 (Rfree = 0.000) for 2581 atoms. Found 53 (86 requested) and removed 33 (59 requested) atoms. Cycle 28: After refmac, R = 0.1841 (Rfree = 0.000) for 2601 atoms. Found 59 (84 requested) and removed 19 (60 requested) atoms. Cycle 29: After refmac, R = 0.1819 (Rfree = 0.000) for 2638 atoms. Found 50 (85 requested) and removed 35 (61 requested) atoms. Cycle 30: After refmac, R = 0.1799 (Rfree = 0.000) for 2649 atoms. Found 67 (83 requested) and removed 38 (61 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 1.97 1.92 NCS extension: 0 residues added, 2679 seeds are put forward Round 1: 263 peptides, 7 chains. Longest chain 79 peptides. Score 0.925 Round 2: 262 peptides, 8 chains. Longest chain 80 peptides. Score 0.919 Round 3: 264 peptides, 8 chains. Longest chain 80 peptides. Score 0.920 Round 4: 262 peptides, 9 chains. Longest chain 80 peptides. Score 0.913 Round 5: 265 peptides, 7 chains. Longest chain 80 peptides. Score 0.926 Taking the results from Round 5 Chains 7, Residues 258, Estimated correctness of the model 99.6 % 5 chains (249 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 57 A and 60 A Built loop between residues 28 B and 31 B Built loop between residues 57 B and 60 B 4 chains (264 residues) following loop building 2 chains (255 residues) in sequence following loop building ------------------------------------------------------ 31332 reflections ( 99.81 % complete ) and 2554 restraints for refining 2537 atoms. 420 conditional restraints added. Observations/parameters ratio is 3.09 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2003 (Rfree = 0.000) for 2537 atoms. Found 77 (77 requested) and removed 43 (58 requested) atoms. Cycle 32: After refmac, R = 0.1901 (Rfree = 0.000) for 2565 atoms. Found 60 (76 requested) and removed 29 (59 requested) atoms. Cycle 33: After refmac, R = 0.1840 (Rfree = 0.000) for 2596 atoms. Found 53 (76 requested) and removed 22 (59 requested) atoms. Cycle 34: After refmac, R = 0.1801 (Rfree = 0.000) for 2626 atoms. Found 53 (77 requested) and removed 34 (60 requested) atoms. Cycle 35: After refmac, R = 0.1780 (Rfree = 0.000) for 2643 atoms. Found 53 (76 requested) and removed 36 (61 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 1.98 1.93 NCS extension: 0 residues added, 2660 seeds are put forward Round 1: 262 peptides, 7 chains. Longest chain 80 peptides. Score 0.924 Round 2: 264 peptides, 7 chains. Longest chain 80 peptides. Score 0.926 Round 3: 263 peptides, 8 chains. Longest chain 80 peptides. Score 0.919 Round 4: 265 peptides, 7 chains. Longest chain 80 peptides. Score 0.926 Round 5: 257 peptides, 10 chains. Longest chain 80 peptides. Score 0.902 Taking the results from Round 4 Chains 7, Residues 258, Estimated correctness of the model 99.6 % 5 chains (249 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 28 A and 31 A Built loop between residues 57 A and 60 A Built loop between residues 57 B and 60 B 4 chains (264 residues) following loop building 2 chains (255 residues) in sequence following loop building ------------------------------------------------------ 31332 reflections ( 99.81 % complete ) and 2578 restraints for refining 2544 atoms. 444 conditional restraints added. Observations/parameters ratio is 3.08 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2009 (Rfree = 0.000) for 2544 atoms. Found 70 (70 requested) and removed 49 (58 requested) atoms. Cycle 37: After refmac, R = 0.1901 (Rfree = 0.000) for 2559 atoms. Found 68 (68 requested) and removed 22 (59 requested) atoms. Cycle 38: After refmac, R = 0.1854 (Rfree = 0.000) for 2602 atoms. Found 49 (70 requested) and removed 22 (60 requested) atoms. Cycle 39: After refmac, R = 0.1817 (Rfree = 0.000) for 2627 atoms. Found 48 (70 requested) and removed 26 (60 requested) atoms. Cycle 40: After refmac, R = 0.1793 (Rfree = 0.000) for 2648 atoms. Found 48 (68 requested) and removed 32 (61 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 1.98 1.93 NCS extension: 0 residues added, 2666 seeds are put forward Round 1: 262 peptides, 7 chains. Longest chain 79 peptides. Score 0.924 Round 2: 262 peptides, 8 chains. Longest chain 80 peptides. Score 0.919 Round 3: 264 peptides, 7 chains. Longest chain 80 peptides. Score 0.926 Round 4: 261 peptides, 9 chains. Longest chain 80 peptides. Score 0.912 Round 5: 264 peptides, 7 chains. Longest chain 80 peptides. Score 0.926 Taking the results from Round 5 Chains 7, Residues 257, Estimated correctness of the model 99.6 % 5 chains (248 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 57 A and 60 A Built loop between residues 27 B and 31 B Built loop between residues 57 B and 60 B 4 chains (264 residues) following loop building 2 chains (255 residues) in sequence following loop building ------------------------------------------------------ 31332 reflections ( 99.81 % complete ) and 2570 restraints for refining 2543 atoms. 436 conditional restraints added. Observations/parameters ratio is 3.08 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2045 (Rfree = 0.000) for 2543 atoms. Found 63 (63 requested) and removed 51 (58 requested) atoms. Cycle 42: After refmac, R = 0.1922 (Rfree = 0.000) for 2552 atoms. Found 61 (61 requested) and removed 18 (59 requested) atoms. Cycle 43: After refmac, R = 0.1856 (Rfree = 0.000) for 2592 atoms. Found 62 (62 requested) and removed 22 (59 requested) atoms. Cycle 44: After refmac, R = 0.1839 (Rfree = 0.000) for 2631 atoms. Found 54 (63 requested) and removed 35 (60 requested) atoms. Cycle 45: After refmac, R = 0.1827 (Rfree = 0.000) for 2647 atoms. Found 61 (61 requested) and removed 37 (61 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 1.97 1.92 NCS extension: 0 residues added, 2673 seeds are put forward Round 1: 262 peptides, 7 chains. Longest chain 79 peptides. Score 0.924 Round 2: 263 peptides, 7 chains. Longest chain 79 peptides. Score 0.925 Round 3: 262 peptides, 8 chains. Longest chain 79 peptides. Score 0.919 Round 4: 262 peptides, 8 chains. Longest chain 80 peptides. Score 0.919 Round 5: 262 peptides, 7 chains. Longest chain 108 peptides. Score 0.924 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 7, Residues 256, Estimated correctness of the model 99.6 % 5 chains (246 residues) have been docked in sequence Sequence coverage is 95 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 57 A and 60 A Built loop between residues 27 B and 31 B Built loop between residues 57 B and 60 B 4 chains (263 residues) following loop building 2 chains (253 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 31332 reflections ( 99.81 % complete ) and 2106 restraints for refining 2064 atoms. Observations/parameters ratio is 3.80 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2858 (Rfree = 0.000) for 2064 atoms. Found 37 (47 requested) and removed 0 (47 requested) atoms. Cycle 47: After refmac, R = 0.2708 (Rfree = 0.000) for 2064 atoms. Found 18 (48 requested) and removed 1 (48 requested) atoms. Cycle 48: After refmac, R = 0.2578 (Rfree = 0.000) for 2064 atoms. Found 13 (48 requested) and removed 3 (48 requested) atoms. Cycle 49: After refmac, R = 0.2489 (Rfree = 0.000) for 2064 atoms. Found 13 (49 requested) and removed 4 (49 requested) atoms. Writing output files ... Normal termination of warpNtrace Sun 23 Dec 23:20:50 GMT 2018 Job finished. TimeTaking 58.02 Used memory is bytes: 8310104