Hi

The simplest diffusion model ended the first round after 42h00 on a
Intel Pentium4 3.20GHz (Pelican)...

Now, after more than 50h00, the oblate (Intel Xeon CPU 2.80GHz, Hibou
1st CPU), prolate (Intel Xeon CPU 2.80GHz, Hibou 2nd CPU) and ellipsoid
(Intel Pentium4 CPU 3.20GHz, Pigeon) diffusion models are still running
on the first round...

Here are the last 80 lines of the log file for one of these stuck runs :

=======================================================
Entering sub-algorithm.

    Newton minimisation
    ~~~~~~~~~~~~~~~~~~~
    Line search:  Backtracking line search.
    Hessian modification:  The Gill, Murray, and Wright modified
Cholesky algorithm.

    k: 0       xk: array([  1.27705900e+04,   3.17894496e-01,  
4.30908875e-01,   4.55262677e-01,
              8.50838124e-01,   2.47861916e+01,   7.92671118e-01,  
2.14907851e+03,
              8.81854967e-01,   1.50334824e+01,   8.54027315e-01,  
1.64578232e+03,
              8.76787298e-01,   7.92195168e-01,   1.79787560e+03,  
9.87557449e-01,
              8.21228607e-01,   7.74117949e-01,   1.70184872e+03,  
1.73932210e+00,
              9.49188204e-01,   8.85871296e-01,   1.04788711e+01,  
9.17771174e-01,
              9.04377403e-01,   4.08815580e+02,   7.65590609e-01,  
9.11933036e-01,
              8.91496184e-01,   5.56655768e+02,   1.44843220e+00,  
8.90378757e-01,
              8.50622278e-01,   1.49912928e+03,   1.06027214e+00,  
8.65625762e-01,
              3.88839270e+00,   8.35578101e-01,   5.25658520e+03,  
1.23377507e+00,
              8.50832366e-01,   1.14258349e+01,   1.25778023e+00,  
8.58099834e-01,
              8.33315784e-01,   1.04555350e+03,   8.80166810e-01,  
8.42391353e-01,
              1.07328360e+03,   2.70180125e-01,   8.88393547e-01,  
1.26380692e+01,
              7.51137909e-01,   7.16933985e+00,   7.01915972e-01,  
1.58882726e+03,
              2.68906901e+00,   8.51688163e-01,   8.27015263e-01,  
6.25535130e+02,
              1.51074548e+00,   9.03661361e-01,   8.87558977e-01,  
4.80493151e+02,
              8.68556161e-01,   9.97819222e-01,   9.26383233e-01,  
1.31515397e+01,
              5.99525186e-01,   8.57525619e-01,   8.30638445e-01,  
1.85283345e+03,
              1.75756916e+00,   8.72986688e-01,   1.71531471e+01,  
4.27254670e-01,
              8.80694475e-01,   1.81533883e+00,   8.70141488e-01,  
1.60397307e+01,
              1.03406591e+00,   9.58191732e-01,   8.90603591e-01,  
4.15861810e+02,
              8.30733937e-01,   1.09272538e+01,   7.23427079e-01,  
8.93017099e+02,
              7.89229531e-01,   1.33440644e+01,   7.33002966e-01,  
1.87268372e+03,
              1.42199321e+00,   7.53967611e-01,   1.66782443e+01,  
6.61064763e-01,
              2.89157277e+03,   2.33751641e+00,   8.78699341e-01,  
2.97736701e+01,
              8.38759921e-01,   3.18889549e+00,   8.28754282e-01,  
8.17093600e-01,
              2.86614347e+02,   1.98926865e+00,   8.07960444e-01,  
7.79624226e-01,
              8.20216424e+02,   1.69602623e+00,   8.69023915e-01,  
1.29721545e+00,
              8.98814498e-01,   5.63508354e-01,   8.92301958e-01,  
8.72610000e-01,
              5.83216661e+02,   1.72077954e+00,   8.31900384e-01,  
7.95421005e-01,
              3.27213483e+03,   1.47608324e+00,   8.84116554e-01,  
3.00188413e+01,
              8.42580844e-01,   8.13678584e-01,   1.28370304e+03,  
1.52597551e+00,
              9.50467888e-01,   8.94644170e-01,   8.41203713e-01,  
1.10218956e+03,
              2.26006275e+00,   9.68607682e-01,   3.25379935e+01,  
8.41768913e-01,
              9.74570652e-01,   1.08978427e+00,   8.32856285e-01,  
8.07695592e-01,
              2.11975345e+03,   1.95149433e+00,   8.75200671e-01,  
1.18320570e+00,
              8.82565115e-01,   1.72699728e+00,   8.47796885e-01,  
1.51362535e+00,
              8.69079500e-01,   5.14374767e+00,   2.29480254e+00,  
9.13799620e-01,
              1.72758307e+01,   2.99204443e-01,   8.57041668e-01,  
2.35031795e+00,
              8.96758624e-01,   2.18867392e+00,   8.88004177e-01,  
1.55494958e+00,
              8.77947179e-01,   1.11920801e+01,   9.15181658e-01,  
8.46939161e-01,
              1.83610590e+00,   8.38653701e-01,   8.18943616e-01,  
3.56598335e+02,
              8.52078429e-01,   8.34895555e-01,   3.43932619e+02,  
7.87542654e-01,
              8.37946629e-01,   1.24587108e+01,   1.64066609e+00,  
8.40856744e-01,
              7.95194162e-01,   5.67222774e+02,   8.18578387e-01,  
7.71610058e-01,
              1.65280184e+03,   1.22176221e+00,   8.50605183e-01,  
7.42576359e+00,
              1.18569636e+00,   8.20365931e-01,   8.04178929e-01,  
4.23814384e+02,
              1.63292525e+00,   7.87312635e-01,   7.21123309e-01,  
1.55627601e+03,
              2.10657158e+00,   8.26679923e-01,   7.90596693e-01,  
2.58068396e+02,
              2.69944847e-01,   8.24304505e-01,   7.88039728e-01,  
3.81540776e+02,
              4.12294846e-01,   8.10539892e-01,   1.76756373e+01,  
1.59567054e+00,
              8.69519794e-01,   2.27950293e+01,   1.60108929e+00,  
8.46240651e-01,
              8.16750840e-01,   3.36726192e+02,   6.52545204e-01,  
7.98871329e-01,
              1.67585865e+01,   1.29442868e+00,   8.72012584e-01,  
1.58721788e+01,
              8.26110419e-01,   1.83079181e+03,   8.32081822e-01,  
9.35711588e-01,
              4.44948915e+01,   9.47239844e-01,   8.69414580e-01,  
2.60489705e+00,
              8.77732345e-01,   2.73754199e+00,   8.83674982e-01,  
8.54351418e-01,
              2.31262785e+02,   3.66419461e-01,   7.86155599e-01,  
1.01394952e+01,
              1.14673187e+00,   7.92655557e-01,   1.82156160e+01,  
1.86619078e+00,
              8.73237261e-01,   8.49023676e-01,   3.69985402e+02,  
8.63263470e-01,
              8.05115541e-01,   7.80479811e-01,   4.72043168e+02,  
2.03730546e+00,
              7.71825768e-01,   7.31245168e-01,   5.45596104e+02,  
8.32533217e-01,
              7.83786194e-01,   7.18560779e-01,   1.00144691e+03,  
1.92514722e+00,
              8.98011263e-01,   1.61615950e+01,   8.72635732e-01,  
1.94464132e+00,
              8.13134043e-01,   7.55765479e+00,   2.97987565e+00,  
8.18914895e-01,
              7.86593136e-01,   2.12749118e+03,   2.53631014e+00,  
8.64185295e-01,
              6.13997562e+00,   1.89991509e+00,   8.44947845e-01,   2

=======================================================

It seems the runs take a very long time making the final step of each
round (the step when they create the 'opt' directory, since all other
directories are already done).

Maybe it just the size of the dataset that slows down things... Let's be
patient !!

Cheers


Séb


_______________________________________________
relax (http://nmr-relax.com)

This is the relax-users mailing list
[email protected]

To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-users

Reply via email to