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***  nompcdar12  ***

LOGs for ID: 2607020440531876217

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 = 2607020440531876217.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 2607020440531876217.atom to be opened. Openam> File opened: 2607020440531876217.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 = 2607020440531876217.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 1000 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 2607020440531876217.atom to be opened. Openam> file on opening on unit 11: 2607020440531876217.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> 1000 residue(s) per block. Blocpdb> 5308 residues. Blocpdb> 7615 atoms in block 1 Block first atom: 1 Blocpdb> 2595 atoms in block 2 Block first atom: 7616 Blocpdb> 7615 atoms in block 3 Block first atom: 10211 Blocpdb> 2595 atoms in block 4 Block first atom: 17826 Blocpdb> 7615 atoms in block 5 Block first atom: 20421 Blocpdb> 2595 atoms in block 6 Block first atom: 28036 Blocpdb> 7615 atoms in block 7 Block first atom: 30631 Blocpdb> 2595 atoms in block 8 Block first atom: 38245 Blocpdb> 8 blocks. Blocpdb> At most, 7615 atoms in each of them. Blocpdb> At least, 2595 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-Wn> 48 eigenvectors, only, can be determined. Diagrtb> Memory allocation for RTB_to_modes. %Diagrtb-Er> IIWKMX up to: 1043888051 Maximum allowed is LIWORK= 5000000 %Diagrtb-Er> IRWKMX up to: 1045406131 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 0m0.248s user 0m0.230s sys 0m0.018s




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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.