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***  CATSPEROSOME  ***

LOGs for ID: 2108122124461191

output from eigenvector calculation:


STDOUT:
CUTOFF set to default value (CUTOFF=8) Build Tirion matrix: Pdbmat> Computes the Hessian matrix, using an Elastic Network Model. Pdbmat> Version 3.50, Fevrier 2004. Pdbmat> Options to be read in pdbmat.dat file. Pdbmat> Coordinate filename = 2108122124461191.atom Pdbmat> Distance cutoff = 8.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2108122124461191.atom to be opened. Openam> File opened: 2108122124461191.atom Pdbmat> Coordinate file in PDB format. Rdatompdb> Reading pdb file. Rdatompdb> End of file reached. Rdatompdb> Number of I/O errors: 0 Rdatompdb> Number of residues found = 4784 First residue number = 337 Last residue number = 970 Number of atoms found = 38803 Mean number per residue = 8.1 Pdbmat> Coordinate statistics: = 220.884301 +/- 30.854503 From: 153.233000 To: 288.375000 = 210.267666 +/- 29.211727 From: 141.406000 To: 279.149000 = 247.472624 +/- 43.817802 From: 112.246000 To: 333.136000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 4.3315 % Filled. Pdbmat> 14429681 non-zero elements. Pdbmat> 1577677 atom-atom interactions. Pdbmat> Number per atom= 81.32 +/- 20.37 Maximum number = 131 Minimum number = 10 Pdbmat> Matrix trace = 3.155354E+07 Pdbmat> Larger element = 518.951 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. Diagonalize Tirion matrix using diagrtb Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation. Diagrtb> Version 2.52, November 2004. Diagrtb> Options to be read in diagrtb.dat file. Diagrtb> Options taken into account: MATRix filename = pdbmat.sdijb COORdinates filename = 2108122124461191.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 40 Origin of MASS values = CONS MATRix FORMat = BINA Temporary files cleaning = ALL Output PRINting level = 2 Diagrtb> Memory allocation for Blocpdb. Blocpdb> Entering in. Openam> file on opening on unit 10: diagrtb_work.xyzm Blocpdb> Coordinate file 2108122124461191.atom to be opened. Openam> file on opening on unit 11: 2108122124461191.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 38803 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 40 residue(s) per block. Blocpdb> 4784 residues. Blocpdb> 312 atoms in block 1 Block first atom: 1 Blocpdb> 343 atoms in block 2 Block first atom: 313 Blocpdb> 337 atoms in block 3 Block first atom: 656 Blocpdb> 301 atoms in block 4 Block first atom: 993 Blocpdb> 335 atoms in block 5 Block first atom: 1294 Blocpdb> 340 atoms in block 6 Block first atom: 1629 Blocpdb> 144 atoms in block 7 Block first atom: 1969 Blocpdb> 322 atoms in block 8 Block first atom: 2113 Blocpdb> 337 atoms in block 9 Block first atom: 2435 Blocpdb> 324 atoms in block 10 Block first atom: 2772 Blocpdb> 342 atoms in block 11 Block first atom: 3096 Blocpdb> 332 atoms in block 12 Block first atom: 3438 Blocpdb> 341 atoms in block 13 Block first atom: 3770 Blocpdb> 336 atoms in block 14 Block first atom: 4111 Blocpdb> 9 atoms in block 15 Block first atom: 4447 Blocpdb> 329 atoms in block 16 Block first atom: 4456 Blocpdb> 350 atoms in block 17 Block first atom: 4785 Blocpdb> 324 atoms in block 18 Block first atom: 5135 Blocpdb> 309 atoms in block 19 Block first atom: 5459 Blocpdb> 316 atoms in block 20 Block first atom: 5768 Blocpdb> 329 atoms in block 21 Block first atom: 6084 Blocpdb> 320 atoms in block 22 Block first atom: 6413 Blocpdb> 328 atoms in block 23 Block first atom: 6733 Blocpdb> 340 atoms in block 24 Block first atom: 7061 Blocpdb> 332 atoms in block 25 Block first atom: 7401 Blocpdb> 309 atoms in block 26 Block first atom: 7733 Blocpdb> 330 atoms in block 27 Block first atom: 8042 Blocpdb> 310 atoms in block 28 Block first atom: 8372 Blocpdb> 16 atoms in block 29 Block first atom: 8682 Blocpdb> 319 atoms in block 30 Block first atom: 8698 Blocpdb> 316 atoms in block 31 Block first atom: 9017 Blocpdb> 329 atoms in block 32 Block first atom: 9333 Blocpdb> 332 atoms in block 33 Block first atom: 9662 Blocpdb> 305 atoms in block 34 Block first atom: 9994 Blocpdb> 322 atoms in block 35 Block first atom: 10299 Blocpdb> 340 atoms in block 36 Block first atom: 10621 Blocpdb> 162 atoms in block 37 Block first atom: 10961 Blocpdb> 165 atoms in block 38 Block first atom: 11123 Blocpdb> 319 atoms in block 39 Block first atom: 11288 Blocpdb> 337 atoms in block 40 Block first atom: 11607 Blocpdb> 315 atoms in block 41 Block first atom: 11944 Blocpdb> 323 atoms in block 42 Block first atom: 12259 Blocpdb> 308 atoms in block 43 Block first atom: 12582 Blocpdb> 326 atoms in block 44 Block first atom: 12890 Blocpdb> 314 atoms in block 45 Block first atom: 13216 Blocpdb> 318 atoms in block 46 Block first atom: 13530 Blocpdb> 310 atoms in block 47 Block first atom: 13848 Blocpdb> 340 atoms in block 48 Block first atom: 14158 Blocpdb> 307 atoms in block 49 Block first atom: 14498 Blocpdb> 302 atoms in block 50 Block first atom: 14805 Blocpdb> 334 atoms in block 51 Block first atom: 15107 Blocpdb> 324 atoms in block 52 Block first atom: 15441 Blocpdb> 317 atoms in block 53 Block first atom: 15765 Blocpdb> 339 atoms in block 54 Block first atom: 16082 Blocpdb> 326 atoms in block 55 Block first atom: 16421 Blocpdb> 298 atoms in block 56 Block first atom: 16747 Blocpdb> 123 atoms in block 57 Block first atom: 17045 Blocpdb> 334 atoms in block 58 Block first atom: 17168 Blocpdb> 320 atoms in block 59 Block first atom: 17502 Blocpdb> 332 atoms in block 60 Block first atom: 17822 Blocpdb> 317 atoms in block 61 Block first atom: 18154 Blocpdb> 325 atoms in block 62 Block first atom: 18471 Blocpdb> 324 atoms in block 63 Block first atom: 18796 Blocpdb> 319 atoms in block 64 Block first atom: 19120 Blocpdb> 311 atoms in block 65 Block first atom: 19439 Blocpdb> 300 atoms in block 66 Block first atom: 19750 Blocpdb> 332 atoms in block 67 Block first atom: 20050 Blocpdb> 327 atoms in block 68 Block first atom: 20382 Blocpdb> 343 atoms in block 69 Block first atom: 20709 Blocpdb> 339 atoms in block 70 Block first atom: 21052 Blocpdb> 334 atoms in block 71 Block first atom: 21391 Blocpdb> 321 atoms in block 72 Block first atom: 21725 Blocpdb> 314 atoms in block 73 Block first atom: 22046 Blocpdb> 375 atoms in block 74 Block first atom: 22360 Blocpdb> 329 atoms in block 75 Block first atom: 22735 Blocpdb> 296 atoms in block 76 Block first atom: 23064 Blocpdb> 313 atoms in block 77 Block first atom: 23360 Blocpdb> 296 atoms in block 78 Block first atom: 23673 Blocpdb> 337 atoms in block 79 Block first atom: 23969 Blocpdb> 309 atoms in block 80 Block first atom: 24306 Blocpdb> 335 atoms in block 81 Block first atom: 24615 Blocpdb> 329 atoms in block 82 Block first atom: 24950 Blocpdb> 329 atoms in block 83 Block first atom: 25279 Blocpdb> 14 atoms in block 84 Block first atom: 25608 Blocpdb> 323 atoms in block 85 Block first atom: 25622 Blocpdb> 300 atoms in block 86 Block first atom: 25945 Blocpdb> 321 atoms in block 87 Block first atom: 26245 Blocpdb> 302 atoms in block 88 Block first atom: 26566 Blocpdb> 305 atoms in block 89 Block first atom: 26868 Blocpdb> 339 atoms in block 90 Block first atom: 27173 Blocpdb> 318 atoms in block 91 Block first atom: 27512 Blocpdb> 326 atoms in block 92 Block first atom: 27830 Blocpdb> 313 atoms in block 93 Block first atom: 28156 Blocpdb> 314 atoms in block 94 Block first atom: 28469 Blocpdb> 308 atoms in block 95 Block first atom: 28783 Blocpdb> 315 atoms in block 96 Block first atom: 29091 Blocpdb> 302 atoms in block 97 Block first atom: 29406 Blocpdb> 86 atoms in block 98 Block first atom: 29708 Blocpdb> 344 atoms in block 99 Block first atom: 29794 Blocpdb> 281 atoms in block 100 Block first atom: 30138 Blocpdb> 333 atoms in block 101 Block first atom: 30419 Blocpdb> 330 atoms in block 102 Block first atom: 30752 Blocpdb> 220 atoms in block 103 Block first atom: 31082 Blocpdb> 341 atoms in block 104 Block first atom: 31302 Blocpdb> 313 atoms in block 105 Block first atom: 31643 Blocpdb> 343 atoms in block 106 Block first atom: 31956 Blocpdb> 315 atoms in block 107 Block first atom: 32299 Blocpdb> 325 atoms in block 108 Block first atom: 32614 Blocpdb> 304 atoms in block 109 Block first atom: 32939 Blocpdb> 325 atoms in block 110 Block first atom: 33243 Blocpdb> 332 atoms in block 111 Block first atom: 33568 Blocpdb> 323 atoms in block 112 Block first atom: 33900 Blocpdb> 315 atoms in block 113 Block first atom: 34223 Blocpdb> 341 atoms in block 114 Block first atom: 34538 Blocpdb> 319 atoms in block 115 Block first atom: 34879 Blocpdb> 318 atoms in block 116 Block first atom: 35198 Blocpdb> 339 atoms in block 117 Block first atom: 35516 Blocpdb> 340 atoms in block 118 Block first atom: 35855 Blocpdb> 329 atoms in block 119 Block first atom: 36195 Blocpdb> 332 atoms in block 120 Block first atom: 36524 Blocpdb> 315 atoms in block 121 Block first atom: 36856 Blocpdb> 325 atoms in block 122 Block first atom: 37171 Blocpdb> 331 atoms in block 123 Block first atom: 37496 Blocpdb> 321 atoms in block 124 Block first atom: 37827 Blocpdb> 330 atoms in block 125 Block first atom: 38148 Blocpdb> 326 atoms in block 126 Block first atom: 38477 Blocpdb> 126 blocks. Blocpdb> At most, 375 atoms in each of them. Blocpdb> At least, 9 atoms in each of them. Blocpdb> Normal end of Blocpdb. Diagrtb> Memory allocation for Prepmat. Diagrtb> Memory allocation for RTB. Diagrtb> Memory allocation for Diagstd. Diagrtb> Memory allocation for RTB_to_modes. %Diagrtb-Er> IRWKMX up to: 132225751 Maximum allowed is LRWORK= 32000000 %Diagrtb-Er> Not enough memory allowed for working arrays. Sorry. Lower the number of blocks, the sizes of the largest ones... Or recompile DIAGRTB with larger WORKing arrays. STDERR: STOP *Working arrays allocation error* real 0m0.213s user 0m0.204s sys 0m0.008s




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It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.