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.


***  LIPID BINDING PROTEIN 2024-11-11 XXXX  ***

LOGs for ID: 251228183405581878

Output from eigenvector calculation:


STDOUT:
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 = 251228183405581878.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 251228183405581878.atom to be opened. Openam> File opened: 251228183405581878.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 = 4526 First residue number = 38 Last residue number = 4563 Number of atoms found = 36083 Mean number per residue = 8.0 Pdbmat> Coordinate statistics: = 249.661647 +/- 42.063888 From: 159.699000 To: 333.073000 = 248.523480 +/- 56.448228 From: 138.169000 To: 361.451000 = 260.137039 +/- 66.578223 From: 141.333000 To: 388.458000 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 -2.0816 % Filled. Pdbmat> 12145487 non-zero elements. Pdbmat> 1325666 atom-atom interactions. Pdbmat> Number per atom= 73.48 +/- 16.34 Maximum number = 126 Minimum number = 12 Pdbmat> Matrix trace = 2.651332E+07 Pdbmat> Larger element = 482.995 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 = 251228183405581878.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 500 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 251228183405581878.atom to be opened. Openam> file on opening on unit 11: 251228183405581878.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 36083 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 500 residue(s) per block. Blocpdb> 4526 residues. Blocpdb> 3935 atoms in block 1 Block first atom: 1 Blocpdb> 3897 atoms in block 2 Block first atom: 3936 Blocpdb> 3978 atoms in block 3 Block first atom: 7833 Blocpdb> 3858 atoms in block 4 Block first atom: 11811 Blocpdb> 4175 atoms in block 5 Block first atom: 15669 Blocpdb> 3948 atoms in block 6 Block first atom: 19844 Blocpdb> 3948 atoms in block 7 Block first atom: 23792 Blocpdb> 3977 atoms in block 8 Block first atom: 27740 Blocpdb> 4164 atoms in block 9 Block first atom: 31717 Blocpdb> 203 atoms in block 10 Block first atom: 35880 Blocpdb> 10 blocks. Blocpdb> At most, 4175 atoms in each of them. Blocpdb> At least, 203 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> 60 eigenvectors, only, can be determined. Diagrtb> Memory allocation for RTB_to_modes. %Diagrtb-Er> IIWKMX up to: 313851251 Maximum allowed is LIWORK= 5000000 %Diagrtb-Er> IRWKMX up to: 1512694351 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 0m0.164s user 0m0.154s sys 0m0.010s




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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.