null Mon 24 Dec 08:07:08 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir Job ID is set to 2itb-2.0-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/2itb-2.0-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/2itb-2.0-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2itb-2.0-parrot-noncs 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/noncs/ArpWArp/wArpResults/WorkingDir/2itb-2.0-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2itb-2.0-parrot-noncs ############### 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 ============================================================ Mon 24 Dec 08:07:13 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/noncs/ArpWArp/wArpResults/WorkingDir/2itb-2.0-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2itb-2.0-parrot-noncs/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 326 and 0 Target number of residues in the AU: 326 Target solvent content: 0.5125 Checking the provided sequence file Detected sequence length: 206 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 412 Adjusted target solvent content: 0.38 Input MTZ file: 2itb-2.0-parrot-noncs.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: 19 Cell parameters: 61.232 70.168 84.235 90.000 90.000 90.000 Input sequence file: 2itb-2.0-parrot-noncs.fasta_lf Building free atoms model in initial map for 3296 target number of atoms Had to go as low as 0.45 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: 53.913 2.050 Wilson plot Bfac: 26.09 23366 reflections ( 99.87 % complete ) and 0 restraints for refining 3648 atoms. Observations/parameters ratio is 1.60 ------------------------------------------------------ Starting model: R = 0.3481 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3033 (Rfree = 0.000) for 3648 atoms. Found 48 (116 requested) and removed 65 (58 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.18 2.57 NCS extension: 0 residues added, 3631 seeds are put forward Round 1: 227 peptides, 42 chains. Longest chain 15 peptides. Score 0.434 Round 2: 267 peptides, 31 chains. Longest chain 29 peptides. Score 0.716 Round 3: 284 peptides, 28 chains. Longest chain 32 peptides. Score 0.781 Round 4: 296 peptides, 22 chains. Longest chain 37 peptides. Score 0.846 Round 5: 287 peptides, 16 chains. Longest chain 49 peptides. Score 0.875 Taking the results from Round 5 Chains 18, Residues 271, Estimated correctness of the model 98.3 % 6 chains (174 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 56 B and 64 B 17 chains (277 residues) following loop building 5 chains (181 residues) in sequence following loop building ------------------------------------------------------ 23366 reflections ( 99.87 % complete ) and 4659 restraints for refining 3180 atoms. 2885 conditional restraints added. Observations/parameters ratio is 1.84 ------------------------------------------------------ Cycle 1: After refmac, R = 0.3499 (Rfree = 0.000) for 3180 atoms. Found 70 (101 requested) and removed 58 (50 requested) atoms. Cycle 2: After refmac, R = 0.3278 (Rfree = 0.000) for 3176 atoms. Found 45 (99 requested) and removed 51 (50 requested) atoms. Cycle 3: After refmac, R = 0.3060 (Rfree = 0.000) for 3136 atoms. Found 41 (97 requested) and removed 50 (50 requested) atoms. Cycle 4: After refmac, R = 0.2937 (Rfree = 0.000) for 3106 atoms. Found 38 (93 requested) and removed 33 (49 requested) atoms. Cycle 5: After refmac, R = 0.2835 (Rfree = 0.000) for 3099 atoms. Found 26 (91 requested) and removed 17 (49 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.13 2.51 NCS extension: 26 residues added (9 deleted due to clashes), 3152 seeds are put forward Round 1: 307 peptides, 19 chains. Longest chain 48 peptides. Score 0.878 Round 2: 322 peptides, 17 chains. Longest chain 51 peptides. Score 0.902 Round 3: 325 peptides, 16 chains. Longest chain 75 peptides. Score 0.910 Round 4: 337 peptides, 15 chains. Longest chain 69 peptides. Score 0.922 Round 5: 344 peptides, 14 chains. Longest chain 97 peptides. Score 0.931 Taking the results from Round 5 Chains 15, Residues 330, Estimated correctness of the model 99.4 % 5 chains (234 residues) have been docked in sequence Building loops using Loopy2018 15 chains (330 residues) following loop building 5 chains (234 residues) in sequence following loop building ------------------------------------------------------ 23366 reflections ( 99.87 % complete ) and 4089 restraints for refining 3183 atoms. 1810 conditional restraints added. Observations/parameters ratio is 1.84 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2931 (Rfree = 0.000) for 3183 atoms. Found 69 (91 requested) and removed 55 (50 requested) atoms. Cycle 7: After refmac, R = 0.2734 (Rfree = 0.000) for 3190 atoms. Found 30 (90 requested) and removed 36 (51 requested) atoms. Cycle 8: After refmac, R = 0.2634 (Rfree = 0.000) for 3176 atoms. Found 27 (87 requested) and removed 18 (50 requested) atoms. Cycle 9: After refmac, R = 0.2539 (Rfree = 0.000) for 3181 atoms. Found 27 (85 requested) and removed 12 (50 requested) atoms. Cycle 10: After refmac, R = 0.2456 (Rfree = 0.000) for 3189 atoms. Found 26 (86 requested) and removed 6 (51 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.14 2.52 NCS extension: 30 residues added (78 deleted due to clashes), 3245 seeds are put forward Round 1: 341 peptides, 14 chains. Longest chain 60 peptides. Score 0.929 Round 2: 351 peptides, 12 chains. Longest chain 97 peptides. Score 0.942 Round 3: 357 peptides, 16 chains. Longest chain 37 peptides. Score 0.930 Round 4: 355 peptides, 12 chains. Longest chain 77 peptides. Score 0.943 Round 5: 353 peptides, 11 chains. Longest chain 97 peptides. Score 0.946 Taking the results from Round 5 Chains 12, Residues 342, Estimated correctness of the model 99.6 % 6 chains (292 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 45 A and 48 A Built loop between residues 107 B and 110 B 10 chains (346 residues) following loop building 4 chains (296 residues) in sequence following loop building ------------------------------------------------------ 23366 reflections ( 99.87 % complete ) and 3779 restraints for refining 3299 atoms. 1184 conditional restraints added. Observations/parameters ratio is 1.77 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2630 (Rfree = 0.000) for 3299 atoms. Found 57 (88 requested) and removed 54 (52 requested) atoms. Cycle 12: After refmac, R = 0.2523 (Rfree = 0.000) for 3296 atoms. Found 31 (86 requested) and removed 44 (52 requested) atoms. Cycle 13: After refmac, R = 0.2419 (Rfree = 0.000) for 3282 atoms. Found 23 (83 requested) and removed 27 (52 requested) atoms. Cycle 14: After refmac, R = 0.2350 (Rfree = 0.000) for 3272 atoms. Found 27 (81 requested) and removed 17 (52 requested) atoms. Cycle 15: After refmac, R = 0.2283 (Rfree = 0.000) for 3281 atoms. Found 26 (79 requested) and removed 9 (52 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.12 2.50 NCS extension: 104 residues added (151 deleted due to clashes), 3404 seeds are put forward Round 1: 369 peptides, 9 chains. Longest chain 78 peptides. Score 0.959 Round 2: 370 peptides, 11 chains. Longest chain 77 peptides. Score 0.953 Round 3: 370 peptides, 8 chains. Longest chain 99 peptides. Score 0.962 Round 4: 363 peptides, 13 chains. Longest chain 63 peptides. Score 0.944 Round 5: 374 peptides, 7 chains. Longest chain 91 peptides. Score 0.966 Taking the results from Round 5 Chains 7, Residues 367, Estimated correctness of the model 99.8 % 6 chains (351 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 78 B and 81 B Built loop between residues 107 B and 110 B Built loop between residues 133 B and 137 B 4 chains (374 residues) following loop building 3 chains (358 residues) in sequence following loop building ------------------------------------------------------ 23366 reflections ( 99.87 % complete ) and 3446 restraints for refining 3402 atoms. 481 conditional restraints added. Observations/parameters ratio is 1.72 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2453 (Rfree = 0.000) for 3402 atoms. Found 76 (82 requested) and removed 57 (54 requested) atoms. Cycle 17: After refmac, R = 0.2295 (Rfree = 0.000) for 3413 atoms. Found 36 (81 requested) and removed 54 (54 requested) atoms. Cycle 18: After refmac, R = 0.2223 (Rfree = 0.000) for 3387 atoms. Found 33 (78 requested) and removed 29 (54 requested) atoms. Cycle 19: After refmac, R = 0.2162 (Rfree = 0.000) for 3390 atoms. Found 28 (76 requested) and removed 16 (54 requested) atoms. Cycle 20: After refmac, R = 0.2109 (Rfree = 0.000) for 3397 atoms. Found 31 (73 requested) and removed 21 (54 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.12 2.50 NCS extension: 54 residues added (164 deleted due to clashes), 3461 seeds are put forward Round 1: 374 peptides, 11 chains. Longest chain 89 peptides. Score 0.954 Round 2: 380 peptides, 7 chains. Longest chain 101 peptides. Score 0.968 Round 3: 382 peptides, 8 chains. Longest chain 87 peptides. Score 0.965 Round 4: 379 peptides, 10 chains. Longest chain 78 peptides. Score 0.959 Round 5: 378 peptides, 14 chains. Longest chain 44 peptides. Score 0.947 Taking the results from Round 2 Chains 7, Residues 373, Estimated correctness of the model 99.9 % 6 chains (368 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 83 A and 87 A Built loop between residues 107 A and 110 A Built loop between residues 107 B and 110 B Built loop between residues 128 B and 131 B 3 chains (382 residues) following loop building 2 chains (377 residues) in sequence following loop building ------------------------------------------------------ 23366 reflections ( 99.87 % complete ) and 3489 restraints for refining 3458 atoms. 411 conditional restraints added. Observations/parameters ratio is 1.69 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2282 (Rfree = 0.000) for 3458 atoms. Found 71 (73 requested) and removed 58 (55 requested) atoms. Cycle 22: After refmac, R = 0.2136 (Rfree = 0.000) for 3465 atoms. Found 41 (70 requested) and removed 55 (55 requested) atoms. Cycle 23: After refmac, R = 0.2072 (Rfree = 0.000) for 3449 atoms. Found 43 (68 requested) and removed 25 (55 requested) atoms. Cycle 24: After refmac, R = 0.2011 (Rfree = 0.000) for 3464 atoms. Found 41 (66 requested) and removed 20 (55 requested) atoms. Cycle 25: After refmac, R = 0.1962 (Rfree = 0.000) for 3481 atoms. Found 34 (67 requested) and removed 23 (55 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.12 2.50 NCS extension: 3 residues added (5 deleted due to clashes), 3496 seeds are put forward Round 1: 381 peptides, 8 chains. Longest chain 93 peptides. Score 0.965 Round 2: 387 peptides, 4 chains. Longest chain 102 peptides. Score 0.977 Round 3: 380 peptides, 8 chains. Longest chain 102 peptides. Score 0.965 Round 4: 386 peptides, 6 chains. Longest chain 102 peptides. Score 0.972 Round 5: 375 peptides, 11 chains. Longest chain 90 peptides. Score 0.955 Taking the results from Round 2 Chains 4, Residues 383, Estimated correctness of the model 99.9 % 4 chains (383 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 107 A and 110 A Built loop between residues 107 B and 110 B 2 chains (387 residues) following loop building 2 chains (387 residues) in sequence following loop building ------------------------------------------------------ 23366 reflections ( 99.87 % complete ) and 3420 restraints for refining 3498 atoms. 285 conditional restraints added. Observations/parameters ratio is 1.67 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2157 (Rfree = 0.000) for 3498 atoms. Found 62 (64 requested) and removed 60 (55 requested) atoms. Cycle 27: After refmac, R = 0.2019 (Rfree = 0.000) for 3493 atoms. Found 35 (62 requested) and removed 54 (55 requested) atoms. Cycle 28: After refmac, R = 0.1962 (Rfree = 0.000) for 3473 atoms. Found 38 (59 requested) and removed 26 (55 requested) atoms. Cycle 29: After refmac, R = 0.1901 (Rfree = 0.000) for 3482 atoms. Found 45 (58 requested) and removed 18 (55 requested) atoms. Cycle 30: After refmac, R = 0.1874 (Rfree = 0.000) for 3502 atoms. Found 46 (58 requested) and removed 36 (56 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.11 2.48 NCS extension: 0 residues added, 3515 seeds are put forward Round 1: 385 peptides, 6 chains. Longest chain 103 peptides. Score 0.971 Round 2: 385 peptides, 6 chains. Longest chain 104 peptides. Score 0.971 Round 3: 378 peptides, 8 chains. Longest chain 89 peptides. Score 0.964 Round 4: 385 peptides, 7 chains. Longest chain 123 peptides. Score 0.969 Round 5: 382 peptides, 8 chains. Longest chain 90 peptides. Score 0.965 Taking the results from Round 2 Chains 6, Residues 379, Estimated correctness of the model 99.9 % 6 chains (379 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 108 A and 111 A Built loop between residues 47 B and 50 B Built loop between residues 77 B and 80 B Built loop between residues 161 B and 165 B 2 chains (388 residues) following loop building 2 chains (388 residues) in sequence following loop building ------------------------------------------------------ 23366 reflections ( 99.87 % complete ) and 3395 restraints for refining 3498 atoms. 252 conditional restraints added. Observations/parameters ratio is 1.67 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2115 (Rfree = 0.000) for 3498 atoms. Found 55 (55 requested) and removed 59 (55 requested) atoms. Cycle 32: After refmac, R = 0.1970 (Rfree = 0.000) for 3492 atoms. Found 41 (55 requested) and removed 48 (55 requested) atoms. Cycle 33: After refmac, R = 0.1919 (Rfree = 0.000) for 3483 atoms. Found 41 (55 requested) and removed 31 (55 requested) atoms. Cycle 34: After refmac, R = 0.1877 (Rfree = 0.000) for 3489 atoms. Found 39 (55 requested) and removed 19 (55 requested) atoms. Cycle 35: After refmac, R = 0.1854 (Rfree = 0.000) for 3507 atoms. Found 33 (56 requested) and removed 20 (56 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.11 2.48 NCS extension: 0 residues added, 3520 seeds are put forward Round 1: 385 peptides, 6 chains. Longest chain 103 peptides. Score 0.971 Round 2: 388 peptides, 3 chains. Longest chain 194 peptides. Score 0.980 Round 3: 381 peptides, 8 chains. Longest chain 121 peptides. Score 0.965 Round 4: 378 peptides, 8 chains. Longest chain 103 peptides. Score 0.964 Round 5: 384 peptides, 7 chains. Longest chain 103 peptides. Score 0.969 Taking the results from Round 2 Chains 3, Residues 385, Estimated correctness of the model 99.9 % 3 chains (385 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 107 B and 110 B 2 chains (387 residues) following loop building 2 chains (387 residues) in sequence following loop building ------------------------------------------------------ 23366 reflections ( 99.87 % complete ) and 3394 restraints for refining 3484 atoms. 259 conditional restraints added. Observations/parameters ratio is 1.68 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2051 (Rfree = 0.000) for 3484 atoms. Found 55 (55 requested) and removed 59 (55 requested) atoms. Cycle 37: After refmac, R = 0.1916 (Rfree = 0.000) for 3473 atoms. Found 44 (55 requested) and removed 33 (55 requested) atoms. Cycle 38: After refmac, R = 0.1864 (Rfree = 0.000) for 3480 atoms. Found 47 (55 requested) and removed 38 (55 requested) atoms. Cycle 39: After refmac, R = 0.1848 (Rfree = 0.000) for 3489 atoms. Found 45 (55 requested) and removed 36 (55 requested) atoms. Cycle 40: After refmac, R = 0.1831 (Rfree = 0.000) for 3496 atoms. Found 37 (55 requested) and removed 36 (55 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.11 2.48 NCS extension: 0 residues added, 3497 seeds are put forward Round 1: 384 peptides, 6 chains. Longest chain 103 peptides. Score 0.971 Round 2: 386 peptides, 4 chains. Longest chain 103 peptides. Score 0.977 Round 3: 384 peptides, 6 chains. Longest chain 103 peptides. Score 0.971 Round 4: 380 peptides, 10 chains. Longest chain 90 peptides. Score 0.959 Round 5: 383 peptides, 7 chains. Longest chain 103 peptides. Score 0.968 Taking the results from Round 2 Chains 4, Residues 382, Estimated correctness of the model 99.9 % 4 chains (382 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 107 A and 110 A Built loop between residues 107 B and 111 B 2 chains (387 residues) following loop building 2 chains (387 residues) in sequence following loop building ------------------------------------------------------ 23366 reflections ( 99.87 % complete ) and 3394 restraints for refining 3470 atoms. 259 conditional restraints added. Observations/parameters ratio is 1.68 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2047 (Rfree = 0.000) for 3470 atoms. Found 55 (55 requested) and removed 58 (55 requested) atoms. Cycle 42: After refmac, R = 0.1924 (Rfree = 0.000) for 3460 atoms. Found 47 (55 requested) and removed 51 (55 requested) atoms. Cycle 43: After refmac, R = 0.1884 (Rfree = 0.000) for 3455 atoms. Found 39 (55 requested) and removed 23 (55 requested) atoms. Cycle 44: After refmac, R = 0.1854 (Rfree = 0.000) for 3467 atoms. Found 42 (55 requested) and removed 23 (55 requested) atoms. Cycle 45: After refmac, R = 0.1830 (Rfree = 0.000) for 3485 atoms. Found 36 (55 requested) and removed 18 (55 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.10 2.47 NCS extension: 0 residues added, 3505 seeds are put forward Round 1: 382 peptides, 6 chains. Longest chain 92 peptides. Score 0.971 Round 2: 386 peptides, 4 chains. Longest chain 103 peptides. Score 0.977 Round 3: 384 peptides, 5 chains. Longest chain 127 peptides. Score 0.974 Round 4: 376 peptides, 6 chains. Longest chain 102 peptides. Score 0.969 Round 5: 383 peptides, 7 chains. Longest chain 90 peptides. Score 0.968 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 5, Residues 382, Estimated correctness of the model 99.9 % 4 chains (379 residues) have been docked in sequence Sequence coverage is 98 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 107 A and 110 A Built loop between residues 105 B and 111 B 2 chains (386 residues) following loop building 2 chains (386 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 23366 reflections ( 99.87 % complete ) and 3127 restraints for refining 3067 atoms. Observations/parameters ratio is 1.90 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2613 (Rfree = 0.000) for 3067 atoms. Found 32 (48 requested) and removed 0 (48 requested) atoms. Cycle 47: After refmac, R = 0.2445 (Rfree = 0.000) for 3067 atoms. Found 12 (49 requested) and removed 1 (49 requested) atoms. Cycle 48: After refmac, R = 0.2343 (Rfree = 0.000) for 3067 atoms. Found 5 (49 requested) and removed 2 (49 requested) atoms. Cycle 49: After refmac, R = 0.2310 (Rfree = 0.000) for 3067 atoms. Found 6 (49 requested) and removed 5 (49 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 08:56:31 GMT 2018 Job finished. TimeTaking 49.39 Used memory is bytes: 13469416