Hello,
I am trying to do calculation of the entropic part of the binding energy
of my system (big protein + small ligand). Complex has 12819 atoms.
I know it is pretty big system for such analysis but I have personal
machine with
74GB RAM and also access to our brand new cluster with nodes having 130 GB
RAM.
Even if I am doing analysis of just one single frame, the memory error
aborts in the ceratain point
the calculation even if the normal mode memory requirements seem to be
just cca 24GB and moreover
the first phase of the normal mode analysis is running quite long.
First the minimization phase (using cca 670MB RAM) is successfully
finished.
-------------------
Mem: 74237728k total, 5717908k used, 68519820k free, 184952k buffers
Swap: 4194300k total, 8096k used, 4186204k free, 3597556k cached
PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND
12352 mara 20 0 674m 650m 1524 R 100.0 0.9 56:33.94
mmpbsa_py_nabnm
------------------
Then the normal mode analysis starts (using cca 24 GB RAM ).
---------------
Mem: 74237728k total, 30159860k used, 44077868k free, 186552k buffers
Swap: 4194300k total, 8096k used, 4186204k free, 3598120k cached
PID USER PR NI VIRT RES SHR S %CPU %MEM TIME+ COMMAND
12352 mara 20 0 23.9g 23g 1612 R 99.7 33.8 101:19.17
mmpbsa_py_nabnm
9718 mara 20 0 98.0m 1828 848 S 0.3 0.0 0:23.02 sshd
12130 mara 20 0 98.6m 840 704 S 0.3 0.0 2:01.75 sadc
---------------
It goes well for several hours until it reach certain point in which some
first phase is done and
these information are written at the end of the _MMPBSA_complex_nm.out.0 .
-------------------
ff: 1 -32142.52 10756.97 -4400.07 -28725.03 0.00 -9774.39
4.70e-02
Energy = -3.2142522781e+04
RMS gradient = 4.6957044817e-02
allocation failure in vector: nh = -1336854855
-------------------
after reaching this point the calculation crashes :
"allocation failure in vector: nh = -1336854855"
I tried several times on my machine and also on our new cluster with
several such complexes (differing in ligand only).
In all cases exactly the same problem appeared. I am using patched Amber14
(AT14).
Compilers used for Amber compilation:
gcc version 4.4.7 20120313 (Red Hat 4.4.7-4) (GCC) (my machine)
gcc version 4.8.3 (Gentoo 4.8.3 p1.1, pie-0.5.9) (cluster)
With smaller molecular systems I had never problems and results were
always successfully calculated.
This is the first time I see such error.
Please find the full listing of the files "mmpbsa.out" and
"_MMPBSA_complex_nm.out.0" below.
I would be really grateful for any useful comment/advice.
Best wishes,
Marek
****mmpbsa.out****
****mmpbsa.out****
****mmpbsa.out****
---------------------------------------------------------------------
mmpbsa_py_nabnmode found! Using /opt/amber14/bin/mmpbsa_py_nabnmode
Preparing trajectories for simulation...
/opt/amber14/bin/MMPBSA_mods/make_trajs.py:631: UserWarning: Solvated
topology 0 has IFBOX == 0
warn('Solvated topology %s has IFBOX == 0' % ifbox)
1000 frames were processed by cpptraj for use in calculation.
1 frames were processed by cpptraj for nmode calculations.
Running calculations on normal system...
Beginning nmode calculations with /opt/amber14/bin/mmpbsa_py_nabnmode
calculating complex contribution...
Line minimizer aborted: step at upper bound 0.0056862965
Line minimizer aborted: step at upper bound 0.035691416
Line minimizer aborted: step at upper bound 0.0037704713
Line minimizer aborted: step at upper bound 0.019380361
Line minimizer aborted: step at upper bound 0.0038443727
Line minimizer aborted: step at upper bound 0.0241034
Line minimizer aborted: step at upper bound 0.0016834349
Line minimizer aborted: step at upper bound 0.0011799007
Line minimizer aborted: step at upper bound 0.0046195672
Line minimizer aborted: step at upper bound 0.033733268
Line minimizer aborted: step at upper bound 0.0011396902
Line minimizer aborted: step at upper bound 0.053278437
Line minimizer aborted: step at upper bound 0.11619027
Line minimizer aborted: step at upper bound 0.00089179101
Line minimizer aborted: step at upper bound 0.00063257375
Line minimizer aborted: step at upper bound 0.068949936
Line minimizer aborted: step at upper bound 0.064370326
Line minimizer aborted: step at upper bound 0.091775495
Line minimizer aborted: step at upper bound 0.086691914
Line minimizer aborted: step at upper bound 0.088200329
FATAL: allocation failure in vector()
File "/opt/amber14/bin/MMPBSA.py.MPI", line 96, in <module>
app.run_mmpbsa()
File "/opt/amber14/bin/MMPBSA_mods/main.py", line 218, in run_mmpbsa
self.calc_list.run(rank, self.stdout)
File "/opt/amber14/bin/MMPBSA_mods/calculation.py", line 79, in run
calc.run(rank, stdout=stdout, stderr=stderr)
File "/opt/amber14/bin/MMPBSA_mods/calculation.py", line 309, in run
Calculation.run(self, rank, stdout=self.output % rank)
File "/opt/amber14/bin/MMPBSA_mods/calculation.py", line 148, in run
self.prmtop))
CalcError: /opt/amber14/bin/mmpbsa_py_nabnmode failed with prmtop
../../prmtop/COM.prmtop!
Exiting. All files have been retained.
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
rank 0 in job 1 node25_46222 caused collective abort of all ranks
exit status of rank 0: return code 1
-------------------------------------------------------------
****_MMPBSA_complex_nm.out.0****
****_MMPBSA_complex_nm.out.0****
****_MMPBSA_complex_nm.out.0****
-----------------------------------------------
Reading parm file (../../prmtop/COM.prmtop)
title:
default_name
Parameter topology includes 10-12 terms:
These are assumed to be zero here (e.g. from TIP3P water)
mm_options: ntpr=10000
mm_options: diel=C
mm_options: kappa=0.127315
mm_options: cut=1000
mm_options: gb=1
mm_options: dielc=1.000000
mm_options: temp0=298.150000
Processing ASCII traj
iter Total bad vdW elect nonpolar genBorn
frms
ff: 0 -21533.21 19436.99 -3137.97 -27163.25 0.00 -10668.99
1.82e+01
Starting TNCG minimisation
MIN: Iter = 0 NFunc = 1 E = -21533.21494 RMSG = 1.8225544e+01
CG: It= 4 ( 0.394)q :-)
LS: i= 1 lhs_f= -7025.3201 rhs_f= -1.3410099
lhs_g= 607.86125 rhs_g= 12786.604
rel_s= 0.9438854 abs_s= 5.9522888
max_d= 0.15 i_xyz= 2599z
LS: step= 0.9438854 it= 1
MIN: Iter = 1 NFunc = 6 E = -28558.95821 RMSG = 5.3896249e+00
CG: It= 6 ( 0.487)q :-)
LS: i= 1 lhs_f= -1519.5767 rhs_f= -0.26702191
lhs_g= 420.92165 rhs_g= 2787.1996
rel_s= 0.86222643 abs_s= 5.0568971
max_d= 0.15 i_xyz= 7298x
LS: step= 0.86222643 it= 1
MIN: Iter = 2 NFunc = 13 E = -30078.65643 RMSG = 2.3418687e+00
CG: It= 50 ( 18.821)q :-(
LS: i= 1 lhs_f= -71.897783 rhs_f= -0.0073009859
lhs_g= 12180.391 rhs_g= 11555.654
rel_s= 0.0056862965 abs_s= 1.5210044
max_d= 0.15 i_xyz= 4153x
LS: step= 0.0056862965 it= 1
MIN: Iter = 3 NFunc = 64 E = -30150.57322 RMSG = 2.3200352e+00
CG: It= 5 ( 0.166)q :-)
LS: i= 1 lhs_f= -70.394485 rhs_f= -0.007369792
lhs_g= 970.72121 rhs_g= 978.6675
rel_s= 0.067773915 abs_s= 1.4228427
max_d= 0.15 i_xyz= 4153x
LS: step= 0.067773915 it= 1
MIN: Iter = 4 NFunc = 70 E = -30220.98786 RMSG = 2.1707037e+00
CG: It= 3 ( 0.401)q :-)
LS: i= 1 lhs_f= -86.852048 rhs_f= -0.0092046843
lhs_g= 747.59134 rhs_g= 763.77426
rel_s= 0.10846419 abs_s= 1.3926609
max_d= 0.15 i_xyz= 12617y
LS: step= 0.10846419 it= 1
MIN: Iter = 5 NFunc = 74 E = -30307.86301 RMSG = 1.9786841e+00
CG: It= 3 ( 0.436)q :-)
LS: i= 1 lhs_f= -98.706309 rhs_f= -0.010479037
lhs_g= 789.55861 rhs_g= 805.67907
rel_s= 0.11705819 abs_s= 1.4105217
max_d= 0.15 i_xyz= 12617y
LS: step= 0.11705819 it= 1
MIN: Iter = 6 NFunc = 78 E = -30406.60117 RMSG = 1.9181179e+00
CG: It= 3 ( 0.487)q :-)
LS: i= 1 lhs_f= -150.23761 rhs_f= -0.016180296
lhs_g= 971.38295 rhs_g= 1021.9638
rel_s= 0.14249298 abs_s= 1.7428136
max_d= 0.15 i_xyz= 12617y
LS: step= 0.14249298 it= 1
MIN: Iter = 7 NFunc = 82 E = -30556.89371 RMSG = 1.8017733e+00
CG: It= 3 ( 0.157)q :-)
LS: i= 1 lhs_f= -206.13983 rhs_f= -0.023001755
lhs_g= 872.70882 rhs_g= 992.489
rel_s= 0.20858245 abs_s= 2.2617215
max_d= 0.15 i_xyz= 12618z
LS: step= 0.20858245 it= 1
MIN: Iter = 8 NFunc = 86 E = -30763.07277 RMSG = 1.6086706e+00
CG: It= 3 ( 0.283)q :-)
LS: i= 1 lhs_f= -208.07099 rhs_f= -0.024193852
lhs_g= 618.89711 rhs_g= 774.6371
rel_s= 0.28109249 abs_s= 2.6294897
max_d= 0.15 i_xyz= 12618z
LS: step= 0.28109249 it= 1
MIN: Iter = 9 NFunc = 90 E = -30971.18536 RMSG = 1.3150622e+00
CG: It= 3 ( 0.224)q :-)
LS: i= 1 lhs_f= -214.02795 rhs_f= -0.027831384
lhs_g= 317.75683 rhs_g= 530.05322
rel_s= 0.47256096 abs_s= 3.582175
max_d= 0.15 i_xyz= 12725y
LS: step= 0.47256096 it= 1
MIN: Iter = 10 NFunc = 94 E = -31185.25323 RMSG = 7.3433150e-01
CG: It= 4 ( 0.358)q :-)
LS: i= 1 lhs_f= -153.93492 rhs_f= -0.022603104
lhs_g= 126.1028 rhs_g= 320.7562
rel_s= 0.63421356 abs_s= 3.9246327
max_d= 0.15 i_xyz= 12701y
LS: step= 0.63421356 it= 1
MIN: Iter = 11 NFunc = 99 E = -31339.22164 RMSG = 7.3767882e-01
CG: It= 24 ( 0.493)q :-)
LS: i= 1 lhs_f= -101.26376 rhs_f= -0.011314861
lhs_g= 431.67946 rhs_g= 494.70482
rel_s= 0.2058475 abs_s= 2.7330696
max_d= 0.15 i_xyz= 1936x
LS: step= 0.2058475 it= 1
MIN: Iter = 12 NFunc = 124 E = -31440.49769 RMSG = 6.3646280e-01
CG: It= 23 ( 0.490)q :-)
LS: i= 1 lhs_f= -55.014969 rhs_f= -0.0058276971
lhs_g= 474.1184 rhs_g= 481.85257
rel_s= 0.10884922 abs_s= 1.9113369
max_d= 0.15 i_xyz= 1936x
LS: step= 0.10884922 it= 1
MIN: Iter = 13 NFunc = 148 E = -31495.52231 RMSG = 5.8667138e-01
CG: It= 14 ( 0.477)q :-)
LS: i= 1 lhs_f= -62.871747 rhs_f= -0.0069057621
lhs_g= 321.94793 rhs_g= 354.63124
rel_s= 0.17525771 abs_s= 2.5266672
max_d= 0.15 i_xyz= 1936x
LS: step= 0.17525771 it= 1
MIN: Iter = 14 NFunc = 163 E = -31558.40626 RMSG = 5.3198421e-01
CG: It= 9 ( 0.438)q :-)
LS: i= 1 lhs_f= -63.767355 rhs_f= -0.0075234041
lhs_g= 172.97262 rhs_g= 225.95028
rel_s= 0.29967051 abs_s= 2.9321955
max_d= 0.15 i_xyz= 3787z
LS: step= 0.29967051 it= 1
MIN: Iter = 15 NFunc = 173 E = -31622.18353 RMSG = 4.8140188e-01
CG: It= 8 ( 0.420)q :-)
LS: i= 1 lhs_f= -53.755365 rhs_f= -0.0064027289
lhs_g= 136.4803 rhs_g= 183.01115
rel_s= 0.31486912 abs_s= 3.215093
max_d= 0.15 i_xyz= 8236z
LS: step= 0.31486912 it= 1
MIN: Iter = 16 NFunc = 182 E = -31675.94699 RMSG = 4.6014097e-01
CG: It= 8 ( 0.257)q :-)
LS: i= 1 lhs_f= -40.769998 rhs_f= -0.0049061079
lhs_g= 95.439152 rhs_g= 130.88089
rel_s= 0.33736761 abs_s= 3.2113029
max_d= 0.15 i_xyz= 8236z
LS: step= 0.33736761 it= 1
MIN: Iter = 17 NFunc = 191 E = -31716.72285 RMSG = 4.1833053e-01
CG: It= 7 ( 0.442)q :-)
LS: i= 1 lhs_f= -30.293667 rhs_f= -0.0037890424
lhs_g= 54.928986 rhs_g= 82.303842
rel_s= 0.41433524 abs_s= 3.1666501
max_d= 0.15 i_xyz= 8236z
LS: step= 0.41433524 it= 1
MIN: Iter = 18 NFunc = 199 E = -31747.02347 RMSG = 3.3483060e-01
CG: It= 4 ( 0.450)q :-)
LS: i= 1 lhs_f= -19.028641 rhs_f= -0.0027484625
lhs_g= 16.670477 rhs_g= 37.879977
rel_s= 0.65301419 abs_s= 3.1463389
max_d= 0.15 i_xyz= 8236z
LS: step= 0.65301419 it= 1
MIN: Iter = 19 NFunc = 204 E = -31766.05524 RMSG = 3.4633247e-01
CG: It= 4 ( 0.278)q :-)
LS: i= 1 lhs_f= -10.41161 rhs_f= -0.0018969183
lhs_g= 1.9993663 rhs_g= 18.524866
rel_s= 0.92158638 abs_s= 3.048601
max_d= 0.15 i_xyz= 8236z
LS: step= 0.92158638 it= 1
MIN: Iter = 20 NFunc = 209 E = -31776.47015 RMSG = 1.8708893e-01
CG: It= 50 ( 2.234)q :-(
LS: i= 1 lhs_f= -12.266865 rhs_f= -0.0012544616
lhs_g= 334.88017 rhs_g= 316.32689
rel_s= 0.035691416 abs_s= 1.2627763
max_d= 0.15 i_xyz= 576y
LS: step= 0.035691416 it= 1
MIN: Iter = 21 NFunc = 260 E = -31788.74082 RMSG = 2.0725628e-01
CG: It= 6 ( 4.503)q :-((
LS: i= 1 lhs_f= -7.4597407 rhs_f= -0.00075750344
lhs_g= 1902.0349 rhs_g= 1808.1376
rel_s= 0.0037704713 abs_s= 0.89330819
max_d= 0.15 i_xyz= 576x
LS: step= 0.0037704713 it= 1
MIN: Iter = 22 NFunc = 268 E = -31796.20464 RMSG = 2.4497400e-01
CG: It= 28 ( 0.437)q :-)
LS: i= 1 lhs_f= -8.8846668 rhs_f= -0.0009155606
lhs_g= 431.10221 rhs_g= 425.17503
rel_s= 0.019380361 abs_s= 0.94028227
max_d= 0.15 i_xyz= 632y
LS: step= 0.019380361 it= 1
MIN: Iter = 23 NFunc = 297 E = -31805.09313 RMSG = 2.5235293e-01
CG: It= 13 ( 0.471)q :-)
LS: i= 1 lhs_f= -13.391051 rhs_f= -0.0014339111
lhs_g= 102.76679 rhs_g= 107.35097
rel_s= 0.12021503 abs_s= 1.3902224
max_d= 0.15 i_xyz= 629y
LS: step= 0.12021503 it= 1
MIN: Iter = 24 NFunc = 311 E = -31818.48940 RMSG = 2.3355033e-01
CG: It= 6 ( 0.439)q :-)
LS: i= 1 lhs_f= -15.713082 rhs_f= -0.0017084367
lhs_g= 91.757645 rhs_g= 98.749154
rel_s= 0.15570696 abs_s= 1.7652304
max_d= 0.15 i_xyz= 629y
LS: step= 0.15570696 it= 1
MIN: Iter = 25 NFunc = 318 E = -31834.20697 RMSG = 2.3618300e-01
CG: It= 4 ( 0.410)q :-)
LS: i= 1 lhs_f= -14.741036 rhs_f= -0.0016401868
lhs_g= 65.281425 rhs_g= 74.039295
rel_s= 0.1993763 abs_s= 1.899942
max_d= 0.15 i_xyz= 629y
LS: step= 0.1993763 it= 1
MIN: Iter = 26 NFunc = 323 E = -31848.95181 RMSG = 2.5459525e-01
CG: It= 4 ( 0.381)q :-)
LS: i= 1 lhs_f= -13.60424 rhs_f= -0.0015475072
lhs_g= 50.74958 rhs_g= 60.978323
rel_s= 0.2284019 abs_s= 2.1014624
max_d= 0.15 i_xyz= 629y
LS: step= 0.2284019 it= 1
MIN: Iter = 27 NFunc = 328 E = -31862.55921 RMSG = 2.5318241e-01
CG: It= 4 ( 0.334)q :-)
LS: i= 1 lhs_f= -12.514558 rhs_f= -0.0015166152
lhs_g= 28.102751 rhs_g= 39.044725
rel_s= 0.34958722 abs_s= 2.3515767
max_d= 0.15 i_xyz= 9757z
LS: step= 0.34958722 it= 1
MIN: Iter = 28 NFunc = 333 E = -31875.07638 RMSG = 2.4492917e-01
CG: It= 4 ( 0.310)q :-)
LS: i= 1 lhs_f= -9.4730773 rhs_f= -0.0011823532
lhs_g= 18.051073 rhs_g= 27.367877
rel_s= 0.38882004 abs_s= 2.3215743
max_d= 0.15 i_xyz= 9757z
LS: step= 0.38882004 it= 1
MIN: Iter = 29 NFunc = 338 E = -31884.55148 RMSG = 2.4041075e-01
CG: It= 4 ( 0.396)q :-)
LS: i= 1 lhs_f= -7.6587642 rhs_f= -0.0010030811
lhs_g= 11.114824 rhs_g= 19.220432
rel_s= 0.46969445 abs_s= 2.3095699
max_d= 0.15 i_xyz= 9757z
LS: step= 0.46969445 it= 1
MIN: Iter = 30 NFunc = 343 E = -31892.21212 RMSG = 2.3788447e-01
CG: It= 3 ( 0.422)q :-)
LS: i= 1 lhs_f= -5.4556581 rhs_f= -0.00084400913
lhs_g= 3.3977228 rhs_g= 10.827709
rel_s= 0.70154102 abs_s= 2.3484802
max_d= 0.15 i_xyz= 9757z
LS: step= 0.70154102 it= 1
MIN: Iter = 31 NFunc = 347 E = -31897.66959 RMSG = 1.8232847e-01
CG: It= 32 ( 19.483)q :-((
LS: i= 1 lhs_f= -6.777009 rhs_f= -0.00070681525
lhs_g= 633.76766 rhs_g= 655.00357
rel_s= 0.0097119123 abs_s= 0.9438434
max_d= 0.15 i_xyz= 629x
LS: step= 0.0097119123 it= 1
MIN: Iter = 32 NFunc = 381 E = -31904.45019 RMSG = 2.0604963e-01
CG: It= 50 ( 0.934)q :-(
LS: i= 1 lhs_f= -13.441678 rhs_f= -0.0014316129
lhs_g= 118.67069 rhs_g= 123.24297
rel_s= 0.10454565 abs_s= 2.2176878
max_d= 0.15 i_xyz= 629y
LS: step= 0.10454565 it= 1
MIN: Iter = 33 NFunc = 432 E = -31917.89439 RMSG = 2.0165883e-01
CG: It= 28 ( 0.486)q :-)
LS: i= 1 lhs_f= -12.391266 rhs_f= -0.0013080527
lhs_g= 119.37309 rhs_g= 120.92794
rel_s= 0.09735115 abs_s= 2.159483
max_d= 0.15 i_xyz= 3117z
LS: step= 0.09735115 it= 1
MIN: Iter = 34 NFunc = 461 E = -31930.28796 RMSG = 1.9638090e-01
CG: It= 45 ( 20.711)q :-((
LS: i= 1 lhs_f= -5.9073297 rhs_f= -0.00059827406
lhs_g= 1493.0546 rhs_g= 1400.6099
rel_s= 0.0038443727 abs_s= 1.4872889
max_d= 0.15 i_xyz= 12228y
LS: step= 0.0038443727 it= 1
MIN: Iter = 35 NFunc = 508 E = -31936.19718 RMSG = 2.0248491e-01
CG: It= 14 ( 0.477)q :-)
LS: i= 1 lhs_f= -10.222937 rhs_f= -0.0010940842
lhs_g= 78.41768 rhs_g= 81.859468
rel_s= 0.12028857 abs_s= 1.9526585
max_d= 0.15 i_xyz= 9639z
LS: step= 0.12028857 it= 1
MIN: Iter = 36 NFunc = 523 E = -31946.42319 RMSG = 1.9303247e-01
CG: It= 7 ( 0.387)q :-)
LS: i= 1 lhs_f= -10.012922 rhs_f= -0.001129266
lhs_g= 39.798798 rhs_g= 46.604036
rel_s= 0.2180797 abs_s= 1.9503147
max_d= 0.15 i_xyz= 9639z
LS: step= 0.2180797 it= 1
MIN: Iter = 37 NFunc = 531 E = -31956.43879 RMSG = 1.7428087e-01
CG: It= 3 ( 0.477)q :-)
LS: i= 1 lhs_f= -8.1489858 rhs_f= -0.00099301292
lhs_g= 17.432497 rhs_g= 24.318246
rel_s= 0.36750662 abs_s= 1.9300458
max_d= 0.15 i_xyz= 9639z
LS: step= 0.36750662 it= 1
MIN: Iter = 38 NFunc = 535 E = -31964.59075 RMSG = 1.2869495e-01
CG: It= 4 ( 0.296)q :-)
LS: i= 1 lhs_f= -6.7465944 rhs_f= -0.00078215411
lhs_g= 21.542012 rhs_g= 27.085278
rel_s= 0.25989717 abs_s= 1.9340663
max_d= 0.15 i_xyz= 9639z
LS: step= 0.25989717 it= 1
MIN: Iter = 39 NFunc = 540 E = -31971.33938 RMSG = 1.2283134e-01
CG: It= 6 ( 0.364)q :-)
LS: i= 1 lhs_f= -5.4541298 rhs_f= -0.00064447133
lhs_g= 15.461529 rhs_g= 20.663545
rel_s= 0.28069926 abs_s= 1.8895713
max_d= 0.15 i_xyz= 9639z
LS: step= 0.28069926 it= 1
MIN: Iter = 40 NFunc = 547 E = -31976.79505 RMSG = 1.1934421e-01
CG: It= 6 ( 0.350)q :-)
LS: i= 1 lhs_f= -4.5585772 rhs_f= -0.00060150938
lhs_g= 6.7135971 rhs_g= 12.62676
rel_s= 0.42873899 abs_s= 2.0380832
max_d= 0.15 i_xyz= 9639z
LS: step= 0.42873899 it= 1
MIN: Iter = 41 NFunc = 554 E = -31981.35556 RMSG = 1.1061162e-01
CG: It= 50 ( 5.494)q :-(
LS: i= 1 lhs_f= -4.0654259 rhs_f= -0.00041217618
lhs_g= 165.82336 rhs_g= 153.903
rel_s= 0.0241034 abs_s= 1.1539197
max_d= 0.15 i_xyz= 6305z
LS: step= 0.0241034 it= 1
MIN: Iter = 42 NFunc = 605 E = -31985.42264 RMSG = 1.1841307e-01
CG: It= 8 ( 4.955)q :-((
LS: i= 1 lhs_f= -3.2398925 rhs_f= -0.00032226914
lhs_g= 1964.0769 rhs_g= 1722.9191
rel_s= 0.0016834349 abs_s= 0.91847476
max_d= 0.15 i_xyz= 6306z
LS: step= 0.0016834349 it= 1
MIN: Iter = 43 NFunc = 615 E = -31988.66422 RMSG = 1.2971475e-01
CG: It= 1 (999.999)q :-((
LS: i= 1 lhs_f= -2.9781281 rhs_f= -0.00031593259
lhs_g= 45.225706 rhs_g= 47.723121
rel_s= 0.059581043 abs_s= 0.92530697
max_d= 0.15 i_xyz= 6305z
LS: step= 0.059581043 it= 1
MIN: Iter = 44 NFunc = 618 E = -31991.64407 RMSG = 2.2251298e-01
CG: It= 14 ( 10.729)q :-((
LS: i= 1 lhs_f= -3.4788255 rhs_f= -0.00035723926
lhs_g= 2756.567 rhs_g= 2724.9356
rel_s= 0.0011799007 abs_s= 0.86777367
max_d= 0.15 i_xyz= 6306z
LS: step= 0.0011799007 it= 1
MIN: Iter = 45 NFunc = 634 E = -31995.12488 RMSG = 2.3317827e-01
CG: It= 5 ( 0.262)q :-)
LS: i= 1 lhs_f= -2.84807 rhs_f= -0.00035833312
lhs_g= 6.9468053 rhs_g= 12.92076
rel_s= 0.24959817 abs_s= 0.87775636
max_d= 0.15 i_xyz= 6306z
LS: step= 0.24959817 it= 1
MIN: Iter = 46 NFunc = 640 E = -31997.97447 RMSG = 2.2226561e-01
CG: It= 50 ( 0.893)q :-(
LS: i= 1 lhs_f= -7.7124006 rhs_f= -0.00081797869
lhs_g= 70.88887 rhs_g= 73.050263
rel_s= 0.1007773 abs_s= 2.339612
max_d= 0.15 i_xyz= 12769x
LS: step= 0.1007773 it= 1
MIN: Iter = 47 NFunc = 691 E = -32005.68803 RMSG = 2.2090344e-01
CG: It= 23 ( 0.498)q :-)
LS: i= 1 lhs_f= -5.5741381 rhs_f= -0.00058844364
lhs_g= 62.85868 rhs_g= 64.418227
rel_s= 0.082212643 abs_s= 1.8276632
max_d= 0.15 i_xyz= 9364z
LS: step= 0.082212643 it= 1
MIN: Iter = 48 NFunc = 715 E = -32011.26375 RMSG = 2.1496606e-01
CG: It= 11 ( 0.376)q :-)
LS: i= 1 lhs_f= -6.8844829 rhs_f= -0.0007973022
lhs_g= 22.309796 rhs_g= 28.145956
rel_s= 0.25494674 abs_s= 2.1434464
max_d= 0.15 i_xyz= 9364z
LS: step= 0.25494674 it= 1
MIN: Iter = 49 NFunc = 727 E = -32018.15045 RMSG = 1.7479416e-01
CG: It= 5 ( 0.500)q :-)
LS: i= 1 lhs_f= -6.568506 rhs_f= -0.00085895139
lhs_g= 9.1404323 rhs_g= 15.560667
rel_s= 0.4968015 abs_s= 2.5357381
max_d= 0.15 i_xyz= 7252z
LS: step= 0.4968015 it= 1
MIN: Iter = 50 NFunc = 733 E = -32024.72071 RMSG = 1.4695639e-01
CG: It= 7 ( 0.475)q :-)
LS: i= 1 lhs_f= -5.5251564 rhs_f= -0.00067899872
lhs_g= 11.370231 rhs_g= 16.598322
rel_s= 0.36816905 abs_s= 2.5324106
max_d= 0.15 i_xyz= 7252z
LS: step= 0.36816905 it= 1
MIN: Iter = 51 NFunc = 741 E = -32030.24698 RMSG = 1.5344842e-01
CG: It= 7 ( 0.297)q :-)
LS: i= 1 lhs_f= -4.8966444 rhs_f= -0.00061797409
lhs_g= 8.6652538 rhs_g= 13.794591
rel_s= 0.40318462 abs_s= 2.5230236
max_d= 0.15 i_xyz= 7252z
LS: step= 0.40318462 it= 1
MIN: Iter = 52 NFunc = 749 E = -32035.14471 RMSG = 1.4005793e-01
CG: It= 7 ( 0.391)q :-)
LS: i= 1 lhs_f= -3.8830105 rhs_f= -0.0004959579
lhs_g= 6.6500336 rhs_g= 11.050892
rel_s= 0.40391502 abs_s= 2.370428
max_d= 0.15 i_xyz= 12588y
LS: step= 0.40391502 it= 1
MIN: Iter = 53 NFunc = 757 E = -32039.02880 RMSG = 1.3184823e-01
CG: It= 43 ( 21.778)q :-((
LS: i= 1 lhs_f= -4.2714079 rhs_f= -0.00043984113
lhs_g= 861.13386 rhs_g= 856.91366
rel_s= 0.0046195672 abs_s= 1.5506514
max_d= 0.15 i_xyz= 12588y
LS: step= 0.0046195672 it= 1
MIN: Iter = 54 NFunc = 802 E = -32043.30157 RMSG = 1.4411090e-01
CG: It= 20 ( 0.482)q :-)
LS: i= 1 lhs_f= -5.4457092 rhs_f= -0.00064409271
lhs_g= 14.936205 rhs_g= 19.740496
rel_s= 0.29365192 abs_s= 2.1113676
max_d= 0.15 i_xyz= 12588y
LS: step= 0.29365192 it= 1
MIN: Iter = 55 NFunc = 823 E = -32048.74882 RMSG = 1.2432509e-01
CG: It= 13 ( 0.499)q :-)
LS: i= 1 lhs_f= -5.329134 rhs_f= -0.00065948803
lhs_g= 10.805289 rhs_g= 16.149068
rel_s= 0.36753775 abs_s= 2.0406401
max_d= 0.15 i_xyz= 12587x
LS: step= 0.36753775 it= 1
MIN: Iter = 56 NFunc = 837 E = -32054.07946 RMSG = 1.2210180e-01
CG: It= 16 ( 0.483)q :-)
LS: i= 1 lhs_f= -4.3800511 rhs_f= -0.00053706482
lhs_g= 9.4955452 rhs_g= 14.028754
rel_s= 0.3445483 abs_s= 2.1243305
max_d= 0.15 i_xyz= 12587x
LS: step= 0.3445483 it= 1
MIN: Iter = 57 NFunc = 854 E = -32058.46076 RMSG = 1.2718871e-01
CG: It= 50 ( 2.769)q :-(
LS: i= 1 lhs_f= -3.808732 rhs_f= -0.00038788327
lhs_g= 110.1799 rhs_g= 103.48684
rel_s= 0.033733268 abs_s= 1.6532676
max_d= 0.15 i_xyz= 3953z
LS: step= 0.033733268 it= 1
MIN: Iter = 58 NFunc = 905 E = -32062.27060 RMSG = 1.3377202e-01
CG: It= 14 ( 10.501)q :-((
LS: i= 1 lhs_f= -2.9616123 rhs_f= -0.00030019511
lhs_g= 2518.6986 rhs_g= 2370.6056
rel_s= 0.0011396902 abs_s= 1.2650823
max_d= 0.15 i_xyz= 3953z
LS: step= 0.0011396902 it= 1
MIN: Iter = 59 NFunc = 921 E = -32065.23336 RMSG = 1.4754163e-01
CG: It= 8 ( 0.442)q :-)
LS: i= 1 lhs_f= -3.0015562 rhs_f= -0.00031542419
lhs_g= 31.998781 rhs_g= 32.142861
rel_s= 0.088318764 abs_s= 1.3195616
max_d= 0.15 i_xyz= 3953z
LS: step= 0.088318764 it= 1
MIN: Iter = 60 NFunc = 930 E = -32068.23644 RMSG = 1.4760406e-01
CG: It= 6 ( 0.388)q :-)
LS: i= 1 lhs_f= -2.9298865 rhs_f= -0.00031072327
lhs_g= 26.726855 rhs_g= 27.411298
rel_s= 0.10202032 abs_s= 1.3274988
max_d= 0.15 i_xyz= 3953z
LS: step= 0.10202032 it= 1
MIN: Iter = 61 NFunc = 937 E = -32071.16733 RMSG = 1.5076091e-01
CG: It= 6 ( 0.327)q :-)
LS: i= 1 lhs_f= -2.895647 rhs_f= -0.00031356708
lhs_g= 18.687443 rhs_g= 20.060908
rel_s= 0.14067677 abs_s= 1.3980481
max_d= 0.15 i_xyz= 3953z
LS: step= 0.14067677 it= 1
MIN: Iter = 62 NFunc = 944 E = -32074.06405 RMSG = 1.4861493e-01
CG: It= 6 ( 0.302)q :-)
LS: i= 1 lhs_f= -2.944455 rhs_f= -0.00032502426
lhs_g= 14.663087 rhs_g= 16.414697
rel_s= 0.17820727 abs_s= 1.4648915
max_d= 0.15 i_xyz= 11722y
LS: step= 0.17820727 it= 1
MIN: Iter = 63 NFunc = 951 E = -32077.00939 RMSG = 1.4688293e-01
CG: It= 6 ( 0.366)q :-)
LS: i= 1 lhs_f= -2.7871874 rhs_f= -0.00031538973
lhs_g= 10.893362 rhs_g= 12.915227
rel_s= 0.21977992 abs_s= 1.4780026
max_d= 0.15 i_xyz= 11722y
LS: step= 0.21977992 it= 1
MIN: Iter = 64 NFunc = 958 E = -32079.79755 RMSG = 1.2915647e-01
CG: It= 3 ( 0.441)q :-)
LS: i= 1 lhs_f= -2.3603925 rhs_f= -0.00029565745
lhs_g= 4.3684866 rhs_g= 6.6456259
rel_s= 0.40040127 abs_s= 1.5202929
max_d= 0.15 i_xyz= 11722y
LS: step= 0.40040127 it= 1
MIN: Iter = 65 NFunc = 962 E = -32082.15901 RMSG = 8.9734011e-02
CG: It= 4 ( 0.195)q :-)
LS: i= 1 lhs_f= -1.6027908 rhs_f= -0.00022805129
lhs_g= 1.5868288 rhs_g= 3.7913509
rel_s= 0.54135364 abs_s= 1.6070467
max_d= 0.15 i_xyz= 11722y
LS: step= 0.54135364 it= 1
MIN: Iter = 66 NFunc = 967 E = -32083.76266 RMSG = 7.7185384e-02
CG: It= 50 ( 3.514)q :-(
LS: i= 1 lhs_f= -2.5371305 rhs_f= -0.0002764305
lhs_g= 50.151944 rhs_g= 62.662743
rel_s= 0.039702611 abs_s= 1.1388299
max_d= 0.15 i_xyz= 6532y
LS: step= 0.039702611 it= 1
MIN: Iter = 67 NFunc = 1018 E = -32086.30088 RMSG = 1.6095729e-01
CG: It= 3 ( 0.399)q :-)
LS: i= 1 lhs_f= -1.8306459 rhs_f= -0.00023419183
lhs_g= 2.8388022 rhs_g= 5.2029827
rel_s= 0.40509966 abs_s= 0.97185713
max_d= 0.15 i_xyz= 6532y
LS: step= 0.40509966 it= 1
MIN: Iter = 68 NFunc = 1022 E = -32088.13262 RMSG = 2.2029109e-01
CG: It= 31 ( 21.432)q :-((
LS: i= 1 lhs_f= -3.2030786 rhs_f= -0.00033203252
lhs_g= 2070.7771 rhs_g= 2129.9397
rel_s= 0.001402994 abs_s= 1.3571207
max_d= 0.15 i_xyz= 2781x
LS: step= 0.001402994 it= 1
MIN: Iter = 69 NFunc = 1055 E = -32091.33686 RMSG = 2.2459704e-01
CG: It= 6 ( 0.406)q :-)
LS: i= 1 lhs_f= -2.6911514 rhs_f= -0.00039628247
lhs_g= 2.0806786 rhs_g= 5.940102
rel_s= 0.60041767 abs_s= 1.3766041
max_d= 0.15 i_xyz= 6532y
LS: step= 0.60041767 it= 1
MIN: Iter = 70 NFunc = 1062 E = -32094.02863 RMSG = 2.1051288e-01
CG: It= 50 ( 15.251)q :-(
LS: i= 1 lhs_f= -3.1117763 rhs_f= -0.00032081333
lhs_g= 253.35008 rhs_g= 253.89079
rel_s= 0.011372291 abs_s= 1.561825
max_d= 0.15 i_xyz= 3236z
LS: step= 0.011372291 it= 1
MIN: Iter = 71 NFunc = 1113 E = -32097.14137 RMSG = 2.1569412e-01
CG: It= 4 ( 0.490)q :-)
LS: i= 1 lhs_f= -2.6044797 rhs_f= -0.00031113036
lhs_g= 8.7684231 rhs_g= 13.5912
rel_s= 0.20602841 abs_s= 1.5083342
max_d= 0.15 i_xyz= 2470z
LS: step= 0.20602841 it= 1
MIN: Iter = 72 NFunc = 1118 E = -32099.74687 RMSG = 1.9214790e-01
CG: It= 50 ( 2.244)q :-(
LS: i= 1 lhs_f= -3.170024 rhs_f= -0.00031042206
lhs_g= 60.56197 rhs_g= 52.437697
rel_s= 0.053278437 abs_s= 1.4395356
max_d= 0.15 i_xyz= 2155z
LS: step= 0.053278437 it= 1
MIN: Iter = 73 NFunc = 1169 E = -32102.91775 RMSG = 1.8779603e-01
CG: It= 2 (999.999)q :-((
LS: i= 1 lhs_f= -2.2712476 rhs_f= -0.00023737502
lhs_g= 91.069978 rhs_g= 94.57328
rel_s= 0.022589627 abs_s= 1.2352266
max_d= 0.15 i_xyz= 2155z
LS: step= 0.022589627 it= 1
MIN: Iter = 74 NFunc = 1173 E = -32105.18993 RMSG = 2.1453244e-01
CG: It= 4 ( 0.495)q :-)
LS: i= 1 lhs_f= -2.1539043 rhs_f= -0.00027777024
lhs_g= 4.6249066 rhs_g= 10.52287
rel_s= 0.23757133 abs_s= 1.2888508
max_d= 0.15 i_xyz= 2155z
LS: step= 0.23757133 it= 1
MIN: Iter = 75 NFunc = 1178 E = -32107.34484 RMSG = 1.8713307e-01
CG: It= 29 ( 0.470)q :-)
LS: i= 1 lhs_f= -4.1018474 rhs_f= -0.00045741265
lhs_g= 17.588982 rhs_g= 19.963652
rel_s= 0.20621046 abs_s= 1.561182
max_d= 0.15 i_xyz= 1994z
LS: step= 0.20621046 it= 1
MIN: Iter = 76 NFunc = 1208 E = -32111.44740 RMSG = 1.5632971e-01
CG: It= 13 ( 0.469)q :-)
LS: i= 1 lhs_f= -2.9826005 rhs_f= -0.00031502651
lhs_g= 24.447985 rhs_g= 24.401686
rel_s= 0.11619027 abs_s= 1.5349962
max_d= 0.15 i_xyz= 1994z
LS: step= 0.11619027 it= 1
MIN: Iter = 77 NFunc = 1222 E = -32114.43107 RMSG = 1.4361251e-01
CG: It= 22 ( 19.400)q :-((
LS: i= 1 lhs_f= -2.7013482 rhs_f= -0.00027181717
lhs_g= 2982.4576 rhs_g= 2743.1927
rel_s= 0.00089179101 abs_s= 1.4808764
max_d= 0.15 i_xyz= 8547y
LS: step= 0.00089179101 it= 1
MIN: Iter = 78 NFunc = 1246 E = -32117.13330 RMSG = 1.5082467e-01
CG: It= 31 ( 27.938)q :-((
LS: i= 1 lhs_f= -2.4533821 rhs_f= -0.00025260605
lhs_g= 3599.8601 rhs_g= 3593.9754
rel_s= 0.00063257375 abs_s= 1.3863395
max_d= 0.15 i_xyz= 8547y
LS: step= 0.00063257375 it= 1
MIN: Iter = 79 NFunc = 1279 E = -32119.58756 RMSG = 1.5680835e-01
CG: It= 6 ( 0.409)q :-)
LS: i= 1 lhs_f= -2.9260124 rhs_f= -0.00035393917
lhs_g= 7.1871013 rhs_g= 10.287088
rel_s= 0.30965542 abs_s= 1.5050443
max_d= 0.15 i_xyz= 1994z
LS: step= 0.30965542 it= 1
MIN: Iter = 80 NFunc = 1286 E = -32122.51469 RMSG = 1.2780664e-01
CG: It= 3 ( 0.414)q :-)
LS: i= 1 lhs_f= -1.9391745 rhs_f= -0.00030915322
lhs_g= 1.0178865 rhs_g= 3.8546418
rel_s= 0.72182555 abs_s= 1.4641543
max_d= 0.15 i_xyz= 1994z
LS: step= 0.72182555 it= 1
MIN: Iter = 81 NFunc = 1290 E = -32124.45504 RMSG = 8.5587996e-02
CG: It= 50 ( 1.072)q :-(
LS: i= 1 lhs_f= -1.8143392 rhs_f= -0.0001887269
lhs_g= 25.114995 rhs_g= 24.634426
rel_s= 0.068949936 abs_s= 1.1609604
max_d= 0.15 i_xyz= 1994z
LS: step= 0.068949936 it= 1
MIN: Iter = 82 NFunc = 1341 E = -32126.27018 RMSG = 8.3501995e-02
CG: It= 27 ( 0.492)q :-)
LS: i= 1 lhs_f= -1.7744937 rhs_f= -0.00018405658
lhs_g= 26.422665 rhs_g= 25.734051
rel_s= 0.064370326 abs_s= 1.0480015
max_d= 0.15 i_xyz= 1994z
LS: step= 0.064370326 it= 1
MIN: Iter = 83 NFunc = 1369 E = -32128.04554 RMSG = 8.1966600e-02
CG: It= 14 ( 0.492)q :-)
LS: i= 1 lhs_f= -1.7304847 rhs_f= -0.00018172504
lhs_g= 17.85104 rhs_g= 17.820937
rel_s= 0.091775495 abs_s= 1.043312
max_d= 0.15 i_xyz= 1994z
LS: step= 0.091775495 it= 1
MIN: Iter = 84 NFunc = 1384 E = -32129.77696 RMSG = 7.9647788e-02
CG: It= 14 ( 0.309)q :-)
LS: i= 1 lhs_f= -1.6808366 rhs_f= -0.00017622401
lhs_g= 18.380878 rhs_g= 18.294856
rel_s= 0.086691914 abs_s= 1.0390333
max_d= 0.15 i_xyz= 1994z
LS: step= 0.086691914 it= 1
MIN: Iter = 85 NFunc = 1399 E = -32131.45849 RMSG = 7.7837637e-02
CG: It= 13 ( 0.324)q :-)
LS: i= 1 lhs_f= -1.5166213 rhs_f= -0.00015914385
lhs_g= 16.285362 rhs_g= 16.239108
rel_s= 0.088200329 abs_s= 1.0407643
max_d= 0.15 i_xyz= 1994z
LS: step= 0.088200329 it= 1
MIN: Iter = 86 NFunc = 1413 E = -32132.97579 RMSG = 7.7841177e-02
CG: It= 13 ( 0.215)q :-)
LS: i= 1 lhs_f= -1.4652684 rhs_f= -0.00015488259
lhs_g= 13.389868 rhs_g= 13.553384
rel_s= 0.10284836 abs_s= 1.0394714
max_d= 0.15 i_xyz= 1994z
LS: step= 0.10284836 it= 1
MIN: Iter = 87 NFunc = 1427 E = -32134.44173 RMSG = 7.6614150e-02
CG: It= 12 ( 0.433)q :-)
LS: i= 1 lhs_f= -1.3518921 rhs_f= -0.00014360675
lhs_g= 11.169801 rhs_g= 11.419156
rel_s= 0.11318356 abs_s= 1.0375654
max_d= 0.15 i_xyz= 1994z
LS: step= 0.11318356 it= 1
MIN: Iter = 88 NFunc = 1440 E = -32135.79425 RMSG = 7.4896458e-02
CG: It= 6 ( 0.455)q :-)
LS: i= 1 lhs_f= -1.2739462 rhs_f= -0.00014649664
lhs_g= 4.1159065 rhs_g= 5.0038872
rel_s= 0.26348912 abs_s= 1.0372109
max_d= 0.15 i_xyz= 1994z
LS: step= 0.26348912 it= 1
MIN: Iter = 89 NFunc = 1447 E = -32137.06887 RMSG = 6.8545376e-02
CG: It= 7 ( 0.263)q :-)
LS: i= 1 lhs_f= -1.1429974 rhs_f= -0.00012399424
lhs_g= 6.8897866 rhs_g= 7.3790455
rel_s= 0.15123205 abs_s= 1.0124521
max_d= 0.15 i_xyz= 1994z
LS: step= 0.15123205 it= 1
MIN: Iter = 90 NFunc = 1455 E = -32138.21233 RMSG = 6.7191383e-02
CG: It= 6 ( 0.188)q :-)
LS: i= 1 lhs_f= -1.0139244 rhs_f= -0.00011131589
lhs_g= 5.1987953 rhs_g= 5.7061919
rel_s= 0.17557121 abs_s= 1.0118709
max_d= 0.15 i_xyz= 1994z
LS: step= 0.17557121 it= 1
MIN: Iter = 91 NFunc = 1462 E = -32139.22675 RMSG = 6.2202241e-02
CG: It= 6 ( 0.357)q :-)
LS: i= 1 lhs_f= -0.88171102 rhs_f= -9.7819655e-05
lhs_g= 4.0263136 rhs_g= 4.528413
rel_s= 0.1944118 abs_s= 1.0110255
max_d= 0.15 i_xyz= 1994z
LS: step= 0.1944118 it= 1
MIN: Iter = 92 NFunc = 1469 E = -32140.10886 RMSG = 5.6656025e-02
CG: It= 5 ( 0.433)q :-)
LS: i= 1 lhs_f= -0.75303261 rhs_f= -8.5370982e-05
lhs_g= 2.8103569 rhs_g= 3.3229457
rel_s= 0.23122221 abs_s= 1.008722
max_d= 0.15 i_xyz= 1994z
LS: step= 0.23122221 it= 1
MIN: Iter = 93 NFunc = 1475 E = -32140.86228 RMSG = 5.3510187e-02
CG: It= 4 ( 0.423)q :-)
LS: i= 1 lhs_f= -0.62522649 rhs_f= -7.3426741e-05
lhs_g= 1.7380231 rhs_g= 2.2328474
rel_s= 0.2959632 abs_s= 1.0095234
max_d= 0.15 i_xyz= 1994z
LS: step= 0.2959632 it= 1
MIN: Iter = 94 NFunc = 1480 E = -32141.48779 RMSG = 5.4855407e-02
CG: It= 5 ( 0.481)q :-)
LS: i= 1 lhs_f= -0.54484913 rhs_f= -6.5127596e-05
lhs_g= 1.3580056 rhs_g= 1.8285934
rel_s= 0.32054603 abs_s= 1.0104401
max_d= 0.15 i_xyz= 1994z
LS: step= 0.32054603 it= 1
MIN: Iter = 95 NFunc = 1486 E = -32142.03303 RMSG = 5.0292941e-02
CG: It= 5 ( 0.459)q :-)
LS: i= 1 lhs_f= -0.48950687 rhs_f= -6.0414601e-05
lhs_g= 0.97619289 rhs_g= 1.4180733
rel_s= 0.38342968 abs_s= 1.0259204
max_d= 0.15 i_xyz= 1994z
LS: step= 0.38342968 it= 1
MIN: Iter = 96 NFunc = 1492 E = -32142.52278 RMSG = 4.6957045e-02
----------------------------------------------------------------
END: :-) E = -32142.52278 RMSG = 0.0469570
----Convergence Satisfied----
iter Total bad vdW elect nonpolar genBorn
frms
ff: 1 -32142.52 10756.97 -4400.07 -28725.03 0.00 -9774.39
4.70e-02
Energy = -3.2142522781e+04
RMS gradient = 4.6957044817e-02
allocation failure in vector: nh = -1336854855
-----------------------------------------------
--
Tato zpráva byla vytvořena převratným poštovním klientem Opery:
http://www.opera.com/mail/
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Received on Mon Feb 09 2015 - 16:30:02 PST
