CNRS Nantes University US2B US2B
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Should you encounter any unexpected behaviour,
please let us know.
elNémo has been hacked on november 27th.
It has been moved away and runs again.
**Still some additional cleaning from time to time**
Sorry for the inconvenience.


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LOGs for ID: 2602200335333692462

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 = 2602200335333692462.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 2602200335333692462.atom to be opened. Openam> File opened: 2602200335333692462.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 = 1 First residue number = 1 Last residue number = 1 Number of atoms found = 630 Mean number per residue = 630.0 Pdbmat> Coordinate statistics: = 107.309740 +/- 3.918307 From: 100.494000 To: 114.981000 = 151.726216 +/- 3.293567 From: 146.439000 To: 162.932000 = 137.939113 +/- 4.485330 From: 127.272000 To: 147.025000 Pdbmat> Masses are all set to one. %Pdbmat-W> residue:'UNL ' is not a well known amino-acid. %Pdbmat-W> 1 residue(s) not known. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 41.7271 % Filled. Pdbmat> 745661 non-zero elements. Pdbmat> 82444 atom-atom interactions. Pdbmat> Number per atom= 261.73 +/- 77.37 Maximum number = 423 Minimum number = 29 Pdbmat> Matrix trace = 1.648880E+06 Pdbmat> Larger element = 1789.60 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1 non-zero elements, NRBL set to 1 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 = 2602200335333692462.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 1 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 2602200335333692462.atom to be opened. Openam> file on opening on unit 11: 2602200335333692462.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 630 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 1 residue(s) per block. Blocpdb> 1 residues. Blocpdb> 630 atoms in block 1 Block first atom: 0 Blocpdb> 1 blocks. Blocpdb> At most, 630 atoms in each of them. Blocpdb> At least, 630 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> 6 eigenvectors, only, can be determined. Diagrtb> Memory allocation for RTB_to_modes. %Diagrtb-Er> IIWKMX up to: 7244201 Maximum allowed is LIWORK= 5000000 %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 0m0.011s user 0m0.007s sys 0m0.004s




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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: december 26th, 2025.