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

Should you encounter any unexpected behaviour,
please let us know.


***  4acde-2  ***

LOGs for ID: 22040305395930873

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 = 22040305395930873.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 22040305395930873.atom to be opened. Openam> File opened: 22040305395930873.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 = 1727 First residue number = 1 Last residue number = 117 Number of atoms found = 27635 Mean number per residue = 16.0 Pdbmat> Coordinate statistics: = -3.123499 +/- 19.093668 From: -48.887000 To: 48.540000 = -2.150472 +/- 22.633118 From: -72.843000 To: 49.796000 = 5.172114 +/- 31.757640 From: -64.367000 To: 89.167000 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 -2.4029 % Filled. Pdbmat> 20623998 non-zero elements. Pdbmat> 2273497 atom-atom interactions. Pdbmat> Number per atom= 164.54 +/- 48.82 Maximum number = 259 Minimum number = 22 Pdbmat> Matrix trace = 4.546994E+07 Pdbmat> Larger element = 955.335 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1727 non-zero elements, NRBL set to 9 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 = 22040305395930873.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 9 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 22040305395930873.atom to be opened. Openam> file on opening on unit 11: 22040305395930873.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 27635 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 9 residue(s) per block. Blocpdb> 1727 residues. Blocpdb> 166 atoms in block 1 Block first atom: 1 Blocpdb> 129 atoms in block 2 Block first atom: 167 Blocpdb> 151 atoms in block 3 Block first atom: 296 Blocpdb> 119 atoms in block 4 Block first atom: 447 Blocpdb> 148 atoms in block 5 Block first atom: 566 Blocpdb> 124 atoms in block 6 Block first atom: 714 Blocpdb> 138 atoms in block 7 Block first atom: 838 Blocpdb> 144 atoms in block 8 Block first atom: 976 Blocpdb> 113 atoms in block 9 Block first atom: 1120 Blocpdb> 133 atoms in block 10 Block first atom: 1233 Blocpdb> 159 atoms in block 11 Block first atom: 1366 Blocpdb> 146 atoms in block 12 Block first atom: 1525 Blocpdb> 151 atoms in block 13 Block first atom: 1671 Blocpdb> 136 atoms in block 14 Block first atom: 1822 Blocpdb> 153 atoms in block 15 Block first atom: 1958 Blocpdb> 134 atoms in block 16 Block first atom: 2111 Blocpdb> 148 atoms in block 17 Block first atom: 2245 Blocpdb> 130 atoms in block 18 Block first atom: 2393 Blocpdb> 132 atoms in block 19 Block first atom: 2523 Blocpdb> 145 atoms in block 20 Block first atom: 2655 Blocpdb> 130 atoms in block 21 Block first atom: 2800 Blocpdb> 147 atoms in block 22 Block first atom: 2930 Blocpdb> 143 atoms in block 23 Block first atom: 3077 Blocpdb> 126 atoms in block 24 Block first atom: 3220 Blocpdb> 185 atoms in block 25 Block first atom: 3346 Blocpdb> 116 atoms in block 26 Block first atom: 3531 Blocpdb> 136 atoms in block 27 Block first atom: 3647 Blocpdb> 142 atoms in block 28 Block first atom: 3783 Blocpdb> 143 atoms in block 29 Block first atom: 3925 Blocpdb> 146 atoms in block 30 Block first atom: 4068 Blocpdb> 169 atoms in block 31 Block first atom: 4214 Blocpdb> 146 atoms in block 32 Block first atom: 4383 Blocpdb> 120 atoms in block 33 Block first atom: 4529 Blocpdb> 141 atoms in block 34 Block first atom: 4649 Blocpdb> 140 atoms in block 35 Block first atom: 4790 Blocpdb> 130 atoms in block 36 Block first atom: 4930 Blocpdb> 104 atoms in block 37 Block first atom: 5060 Blocpdb> 149 atoms in block 38 Block first atom: 5164 Blocpdb> 124 atoms in block 39 Block first atom: 5313 Blocpdb> 155 atoms in block 40 Block first atom: 5437 Blocpdb> 139 atoms in block 41 Block first atom: 5592 Blocpdb> 152 atoms in block 42 Block first atom: 5731 Blocpdb> 166 atoms in block 43 Block first atom: 5883 Blocpdb> 146 atoms in block 44 Block first atom: 6049 Blocpdb> 128 atoms in block 45 Block first atom: 6195 Blocpdb> 147 atoms in block 46 Block first atom: 6323 Blocpdb> 145 atoms in block 47 Block first atom: 6470 Blocpdb> 143 atoms in block 48 Block first atom: 6615 Blocpdb> 144 atoms in block 49 Block first atom: 6758 Blocpdb> 157 atoms in block 50 Block first atom: 6902 Blocpdb> 122 atoms in block 51 Block first atom: 7059 Blocpdb> 137 atoms in block 52 Block first atom: 7181 Blocpdb> 136 atoms in block 53 Block first atom: 7318 Blocpdb> 157 atoms in block 54 Block first atom: 7454 Blocpdb> 126 atoms in block 55 Block first atom: 7611 Blocpdb> 156 atoms in block 56 Block first atom: 7737 Blocpdb> 136 atoms in block 57 Block first atom: 7893 Blocpdb> 145 atoms in block 58 Block first atom: 8029 Blocpdb> 133 atoms in block 59 Block first atom: 8174 Blocpdb> 148 atoms in block 60 Block first atom: 8307 Blocpdb> 152 atoms in block 61 Block first atom: 8455 Blocpdb> 160 atoms in block 62 Block first atom: 8607 Blocpdb> 148 atoms in block 63 Block first atom: 8767 Blocpdb> 142 atoms in block 64 Block first atom: 8915 Blocpdb> 125 atoms in block 65 Block first atom: 9057 Blocpdb> 139 atoms in block 66 Block first atom: 9182 Blocpdb> 141 atoms in block 67 Block first atom: 9321 Blocpdb> 142 atoms in block 68 Block first atom: 9462 Blocpdb> 149 atoms in block 69 Block first atom: 9604 Blocpdb> 167 atoms in block 70 Block first atom: 9753 Blocpdb> 133 atoms in block 71 Block first atom: 9920 Blocpdb> 141 atoms in block 72 Block first atom: 10053 Blocpdb> 149 atoms in block 73 Block first atom: 10194 Blocpdb> 121 atoms in block 74 Block first atom: 10343 Blocpdb> 128 atoms in block 75 Block first atom: 10464 Blocpdb> 119 atoms in block 76 Block first atom: 10592 Blocpdb> 142 atoms in block 77 Block first atom: 10711 Blocpdb> 147 atoms in block 78 Block first atom: 10853 Blocpdb> 136 atoms in block 79 Block first atom: 11000 Blocpdb> 166 atoms in block 80 Block first atom: 11136 Blocpdb> 132 atoms in block 81 Block first atom: 11302 Blocpdb> 170 atoms in block 82 Block first atom: 11434 Blocpdb> 155 atoms in block 83 Block first atom: 11604 Blocpdb> 130 atoms in block 84 Block first atom: 11759 Blocpdb> 154 atoms in block 85 Block first atom: 11889 Blocpdb> 178 atoms in block 86 Block first atom: 12043 Blocpdb> 147 atoms in block 87 Block first atom: 12221 Blocpdb> 140 atoms in block 88 Block first atom: 12368 Blocpdb> 157 atoms in block 89 Block first atom: 12508 Blocpdb> 149 atoms in block 90 Block first atom: 12665 Blocpdb> 142 atoms in block 91 Block first atom: 12814 Blocpdb> 162 atoms in block 92 Block first atom: 12956 Blocpdb> 144 atoms in block 93 Block first atom: 13118 Blocpdb> 125 atoms in block 94 Block first atom: 13262 Blocpdb> 134 atoms in block 95 Block first atom: 13387 Blocpdb> 155 atoms in block 96 Block first atom: 13521 Blocpdb> 134 atoms in block 97 Block first atom: 13676 Blocpdb> 156 atoms in block 98 Block first atom: 13810 Blocpdb> 153 atoms in block 99 Block first atom: 13966 Blocpdb> 138 atoms in block 100 Block first atom: 14119 Blocpdb> 160 atoms in block 101 Block first atom: 14257 Blocpdb> 152 atoms in block 102 Block first atom: 14417 Blocpdb> 156 atoms in block 103 Block first atom: 14569 Blocpdb> 148 atoms in block 104 Block first atom: 14725 Blocpdb> 139 atoms in block 105 Block first atom: 14873 Blocpdb> 167 atoms in block 106 Block first atom: 15012 Blocpdb> 146 atoms in block 107 Block first atom: 15179 Blocpdb> 158 atoms in block 108 Block first atom: 15325 Blocpdb> 147 atoms in block 109 Block first atom: 15483 Blocpdb> 119 atoms in block 110 Block first atom: 15630 Blocpdb> 132 atoms in block 111 Block first atom: 15749 Blocpdb> 153 atoms in block 112 Block first atom: 15881 Blocpdb> 136 atoms in block 113 Block first atom: 16034 Blocpdb> 150 atoms in block 114 Block first atom: 16170 Blocpdb> 141 atoms in block 115 Block first atom: 16320 Blocpdb> 129 atoms in block 116 Block first atom: 16461 Blocpdb> 137 atoms in block 117 Block first atom: 16590 Blocpdb> 151 atoms in block 118 Block first atom: 16727 Blocpdb> 163 atoms in block 119 Block first atom: 16878 Blocpdb> 133 atoms in block 120 Block first atom: 17041 Blocpdb> 131 atoms in block 121 Block first atom: 17174 Blocpdb> 144 atoms in block 122 Block first atom: 17305 Blocpdb> 139 atoms in block 123 Block first atom: 17449 Blocpdb> 137 atoms in block 124 Block first atom: 17588 Blocpdb> 133 atoms in block 125 Block first atom: 17725 Blocpdb> 159 atoms in block 126 Block first atom: 17858 Blocpdb> 157 atoms in block 127 Block first atom: 18017 Blocpdb> 157 atoms in block 128 Block first atom: 18174 Blocpdb> 136 atoms in block 129 Block first atom: 18331 Blocpdb> 150 atoms in block 130 Block first atom: 18467 Blocpdb> 130 atoms in block 131 Block first atom: 18617 Blocpdb> 130 atoms in block 132 Block first atom: 18747 Blocpdb> 161 atoms in block 133 Block first atom: 18877 Blocpdb> 136 atoms in block 134 Block first atom: 19038 Blocpdb> 124 atoms in block 135 Block first atom: 19174 Blocpdb> 148 atoms in block 136 Block first atom: 19298 Blocpdb> 160 atoms in block 137 Block first atom: 19446 Blocpdb> 137 atoms in block 138 Block first atom: 19606 Blocpdb> 132 atoms in block 139 Block first atom: 19743 Blocpdb> 157 atoms in block 140 Block first atom: 19875 Blocpdb> 136 atoms in block 141 Block first atom: 20032 Blocpdb> 152 atoms in block 142 Block first atom: 20168 Blocpdb> 158 atoms in block 143 Block first atom: 20320 Blocpdb> 125 atoms in block 144 Block first atom: 20478 Blocpdb> 123 atoms in block 145 Block first atom: 20603 Blocpdb> 151 atoms in block 146 Block first atom: 20726 Blocpdb> 141 atoms in block 147 Block first atom: 20877 Blocpdb> 141 atoms in block 148 Block first atom: 21018 Blocpdb> 143 atoms in block 149 Block first atom: 21159 Blocpdb> 178 atoms in block 150 Block first atom: 21302 Blocpdb> 149 atoms in block 151 Block first atom: 21480 Blocpdb> 129 atoms in block 152 Block first atom: 21629 Blocpdb> 131 atoms in block 153 Block first atom: 21758 Blocpdb> 162 atoms in block 154 Block first atom: 21889 Blocpdb> 165 atoms in block 155 Block first atom: 22051 Blocpdb> 153 atoms in block 156 Block first atom: 22216 Blocpdb> 161 atoms in block 157 Block first atom: 22369 Blocpdb> 154 atoms in block 158 Block first atom: 22530 Blocpdb> 142 atoms in block 159 Block first atom: 22684 Blocpdb> 133 atoms in block 160 Block first atom: 22826 Blocpdb> 151 atoms in block 161 Block first atom: 22959 Blocpdb> 152 atoms in block 162 Block first atom: 23110 Blocpdb> 143 atoms in block 163 Block first atom: 23262 Blocpdb> 167 atoms in block 164 Block first atom: 23405 Blocpdb> 138 atoms in block 165 Block first atom: 23572 Blocpdb> 142 atoms in block 166 Block first atom: 23710 Blocpdb> 146 atoms in block 167 Block first atom: 23852 Blocpdb> 141 atoms in block 168 Block first atom: 23998 Blocpdb> 131 atoms in block 169 Block first atom: 24139 Blocpdb> 139 atoms in block 170 Block first atom: 24270 Blocpdb> 147 atoms in block 171 Block first atom: 24409 Blocpdb> 153 atoms in block 172 Block first atom: 24556 Blocpdb> 139 atoms in block 173 Block first atom: 24709 Blocpdb> 138 atoms in block 174 Block first atom: 24848 Blocpdb> 151 atoms in block 175 Block first atom: 24986 Blocpdb> 141 atoms in block 176 Block first atom: 25137 Blocpdb> 146 atoms in block 177 Block first atom: 25278 Blocpdb> 141 atoms in block 178 Block first atom: 25424 Blocpdb> 159 atoms in block 179 Block first atom: 25565 Blocpdb> 147 atoms in block 180 Block first atom: 25724 Blocpdb> 162 atoms in block 181 Block first atom: 25871 Blocpdb> 137 atoms in block 182 Block first atom: 26033 Blocpdb> 146 atoms in block 183 Block first atom: 26170 Blocpdb> 157 atoms in block 184 Block first atom: 26316 Blocpdb> 150 atoms in block 185 Block first atom: 26473 Blocpdb> 140 atoms in block 186 Block first atom: 26623 Blocpdb> 139 atoms in block 187 Block first atom: 26763 Blocpdb> 162 atoms in block 188 Block first atom: 26902 Blocpdb> 152 atoms in block 189 Block first atom: 27064 Blocpdb> 136 atoms in block 190 Block first atom: 27216 Blocpdb> 142 atoms in block 191 Block first atom: 27352 Blocpdb> 142 atoms in block 192 Block first atom: 27493 Blocpdb> 192 blocks. Blocpdb> At most, 185 atoms in each of them. Blocpdb> At least, 104 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: 46320301 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 0m0.171s user 0m0.168s sys 0m0.000s




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).
Last modification: October 18th, 2018.