CNRS Nantes University US2B US2B
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.
elNémo has been relocated.
**Some cleaning from time to time**
Sorry for the inconvenience.


***  nompcdar12  ***

LOGs for ID: 2607020419541872293

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 = 2607020419541872293.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 2607020419541872293.atom to be opened. Openam> File opened: 2607020419541872293.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 = 5308 First residue number = 1 Last residue number = 1327 Number of atoms found = 40840 Mean number per residue = 7.7 Pdbmat> Coordinate statistics: = 242.320703 +/- 29.633453 From: 166.439000 To: 323.318000 = 243.037248 +/- 29.789911 From: 160.172000 To: 325.203000 = 279.313377 +/- 49.297280 From: 154.812000 To: 382.338000 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 1.3808 % Filled. Pdbmat> 14680576 non-zero elements. Pdbmat> 1604229 atom-atom interactions. Pdbmat> Number per atom= 78.56 +/- 24.78 Maximum number = 132 Minimum number = 8 Pdbmat> Matrix trace = 3.208458E+07 Pdbmat> Larger element = 520.047 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 = 2607020419541872293.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 50 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 2607020419541872293.atom to be opened. Openam> file on opening on unit 11: 2607020419541872293.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 40840 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 50 residue(s) per block. Blocpdb> 5308 residues. Blocpdb> 343 atoms in block 1 Block first atom: 1 Blocpdb> 371 atoms in block 2 Block first atom: 344 Blocpdb> 383 atoms in block 3 Block first atom: 715 Blocpdb> 394 atoms in block 4 Block first atom: 1098 Blocpdb> 382 atoms in block 5 Block first atom: 1492 Blocpdb> 388 atoms in block 6 Block first atom: 1874 Blocpdb> 388 atoms in block 7 Block first atom: 2262 Blocpdb> 376 atoms in block 8 Block first atom: 2650 Blocpdb> 376 atoms in block 9 Block first atom: 3026 Blocpdb> 354 atoms in block 10 Block first atom: 3402 Blocpdb> 376 atoms in block 11 Block first atom: 3756 Blocpdb> 357 atoms in block 12 Block first atom: 4132 Blocpdb> 373 atoms in block 13 Block first atom: 4489 Blocpdb> 368 atoms in block 14 Block first atom: 4862 Blocpdb> 410 atoms in block 15 Block first atom: 5230 Blocpdb> 381 atoms in block 16 Block first atom: 5640 Blocpdb> 385 atoms in block 17 Block first atom: 6021 Blocpdb> 415 atoms in block 18 Block first atom: 6406 Blocpdb> 413 atoms in block 19 Block first atom: 6821 Blocpdb> 382 atoms in block 20 Block first atom: 7234 Blocpdb> 396 atoms in block 21 Block first atom: 7616 Blocpdb> 422 atoms in block 22 Block first atom: 8012 Blocpdb> 401 atoms in block 23 Block first atom: 8434 Blocpdb> 418 atoms in block 24 Block first atom: 8835 Blocpdb> 392 atoms in block 25 Block first atom: 9253 Blocpdb> 372 atoms in block 26 Block first atom: 9645 Blocpdb> 194 atoms in block 27 Block first atom: 10017 Blocpdb> 343 atoms in block 28 Block first atom: 10211 Blocpdb> 371 atoms in block 29 Block first atom: 10554 Blocpdb> 383 atoms in block 30 Block first atom: 10925 Blocpdb> 394 atoms in block 31 Block first atom: 11308 Blocpdb> 382 atoms in block 32 Block first atom: 11702 Blocpdb> 388 atoms in block 33 Block first atom: 12084 Blocpdb> 388 atoms in block 34 Block first atom: 12472 Blocpdb> 376 atoms in block 35 Block first atom: 12860 Blocpdb> 376 atoms in block 36 Block first atom: 13236 Blocpdb> 354 atoms in block 37 Block first atom: 13612 Blocpdb> 376 atoms in block 38 Block first atom: 13966 Blocpdb> 357 atoms in block 39 Block first atom: 14342 Blocpdb> 373 atoms in block 40 Block first atom: 14699 Blocpdb> 368 atoms in block 41 Block first atom: 15072 Blocpdb> 410 atoms in block 42 Block first atom: 15440 Blocpdb> 381 atoms in block 43 Block first atom: 15850 Blocpdb> 385 atoms in block 44 Block first atom: 16231 Blocpdb> 415 atoms in block 45 Block first atom: 16616 Blocpdb> 413 atoms in block 46 Block first atom: 17031 Blocpdb> 382 atoms in block 47 Block first atom: 17444 Blocpdb> 396 atoms in block 48 Block first atom: 17826 Blocpdb> 422 atoms in block 49 Block first atom: 18222 Blocpdb> 401 atoms in block 50 Block first atom: 18644 Blocpdb> 418 atoms in block 51 Block first atom: 19045 Blocpdb> 392 atoms in block 52 Block first atom: 19463 Blocpdb> 372 atoms in block 53 Block first atom: 19855 Blocpdb> 194 atoms in block 54 Block first atom: 20227 Blocpdb> 343 atoms in block 55 Block first atom: 20421 Blocpdb> 371 atoms in block 56 Block first atom: 20764 Blocpdb> 383 atoms in block 57 Block first atom: 21135 Blocpdb> 394 atoms in block 58 Block first atom: 21518 Blocpdb> 382 atoms in block 59 Block first atom: 21912 Blocpdb> 388 atoms in block 60 Block first atom: 22294 Blocpdb> 388 atoms in block 61 Block first atom: 22682 Blocpdb> 376 atoms in block 62 Block first atom: 23070 Blocpdb> 376 atoms in block 63 Block first atom: 23446 Blocpdb> 354 atoms in block 64 Block first atom: 23822 Blocpdb> 376 atoms in block 65 Block first atom: 24176 Blocpdb> 357 atoms in block 66 Block first atom: 24552 Blocpdb> 373 atoms in block 67 Block first atom: 24909 Blocpdb> 368 atoms in block 68 Block first atom: 25282 Blocpdb> 410 atoms in block 69 Block first atom: 25650 Blocpdb> 381 atoms in block 70 Block first atom: 26060 Blocpdb> 385 atoms in block 71 Block first atom: 26441 Blocpdb> 415 atoms in block 72 Block first atom: 26826 Blocpdb> 413 atoms in block 73 Block first atom: 27241 Blocpdb> 382 atoms in block 74 Block first atom: 27654 Blocpdb> 396 atoms in block 75 Block first atom: 28036 Blocpdb> 422 atoms in block 76 Block first atom: 28432 Blocpdb> 401 atoms in block 77 Block first atom: 28854 Blocpdb> 418 atoms in block 78 Block first atom: 29255 Blocpdb> 392 atoms in block 79 Block first atom: 29673 Blocpdb> 372 atoms in block 80 Block first atom: 30065 Blocpdb> 194 atoms in block 81 Block first atom: 30437 Blocpdb> 343 atoms in block 82 Block first atom: 30631 Blocpdb> 371 atoms in block 83 Block first atom: 30974 Blocpdb> 383 atoms in block 84 Block first atom: 31345 Blocpdb> 394 atoms in block 85 Block first atom: 31728 Blocpdb> 382 atoms in block 86 Block first atom: 32122 Blocpdb> 388 atoms in block 87 Block first atom: 32504 Blocpdb> 388 atoms in block 88 Block first atom: 32892 Blocpdb> 376 atoms in block 89 Block first atom: 33280 Blocpdb> 376 atoms in block 90 Block first atom: 33656 Blocpdb> 354 atoms in block 91 Block first atom: 34032 Blocpdb> 376 atoms in block 92 Block first atom: 34386 Blocpdb> 357 atoms in block 93 Block first atom: 34762 Blocpdb> 373 atoms in block 94 Block first atom: 35119 Blocpdb> 368 atoms in block 95 Block first atom: 35492 Blocpdb> 410 atoms in block 96 Block first atom: 35860 Blocpdb> 381 atoms in block 97 Block first atom: 36270 Blocpdb> 385 atoms in block 98 Block first atom: 36651 Blocpdb> 415 atoms in block 99 Block first atom: 37036 Blocpdb> 413 atoms in block 100 Block first atom: 37451 Blocpdb> 382 atoms in block 101 Block first atom: 37864 Blocpdb> 396 atoms in block 102 Block first atom: 38246 Blocpdb> 422 atoms in block 103 Block first atom: 38642 Blocpdb> 401 atoms in block 104 Block first atom: 39064 Blocpdb> 418 atoms in block 105 Block first atom: 39465 Blocpdb> 392 atoms in block 106 Block first atom: 39883 Blocpdb> 372 atoms in block 107 Block first atom: 40275 Blocpdb> 194 atoms in block 108 Block first atom: 40646 Blocpdb> 108 blocks. Blocpdb> At most, 422 atoms in each of them. Blocpdb> At least, 194 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: 156713077 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 0m0.195s user 0m0.183s sys 0m0.012s




If you find results from this site helpful for your research, please cite one of our papers:

elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.