Re: [gmx-users] mdrun segmentation fault for new build of gromacs 4.6.1

2013-06-06 Thread Roland Schulz
Hi,

I recommend to run the regressiontests. The simplest way is to build
GROMACS with cmake -DREGRESSIONTEST_DOWNLOAD, and run make check.
See 
http://www.gromacs.org/Documentation/Installation_Instructions#.c2.a7_4.12._Testing_GROMACS_for_correctness
for more details.

Roland

On Thu, Jun 6, 2013 at 4:56 PM, Amil G. Anderson
aander...@wittenberg.edu wrote:
 Gromacs users:

 I have just built and installed gromacs-4.6.1 on my Xeon 5500 compute cluster 
 running Centos 5.  The installation was done with gcc 4.7.0

 I have run a simple test (the old tutor/gmxdemo) which fails at the first 
 mdrun step with a segmentation fault.  The command line for this step is:

 mdrun -nt 1 -s cpeptide_em -o cpeptide_em -c cpeptide_b4pr -v -debug 1

 where I have included the debug flag and have restricted the run to one core. 
  The files associated with this run are located at:

 https://www.dropbox.com/sh/h6867f7ivl5pcl9/j9gt9CsVdP


 I have done a test build of gromacs-4.5.4 (version I have been running the 
 last year) with the same build environment as the 4.6.1 build, including 
 using cmake.  The rebuild of gromacs-4.5.4 runs the demo completely.

 Given the limited information for the run (segmentation fault seems to occur 
 just after reading in the parameters), I'm not sure how to further pursue the 
 source of this error.  I have also tried building gromacs-4.6.2 but have the 
 same error for mdrun.

 Thanks for any insight that you may be able to provide.

 Dr. Amil Anderson
 Associate Professor of Chemistry
 Wittenberg University


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Re: [gmx-users] mdrun segmentation fault

2012-04-11 Thread Mark Abraham

On 12/04/2012 3:30 PM, priya thiyagarajan wrote:

hello sir,

Thanks for your kind reply..

i am performing final md run for 60molecules ..

after i submitted my job for 5ns, when i analyse the result my run is 
completed only for 314ps initially..


At this point, you should have looked at your .log file and your stdout 
and stderr files to see why the simulation stopped, rather than blindly 
continuing.


then i extende my simulation.. but again it completed only for 500ps.. 
initially i thought because of queue limit its getting stopped.. but 
3rd time i extended my simulation it came for 538ps..


when i analysed my log file it just showing like this


DD  step 268999 load imb.: force  1.5%

   Step   Time Lambda
 269000  538.00.0

   Energies (kJ/mol)
   G96AngleProper Dih.  Improper Dih.  LJ-14 
Coulomb-14
9.84673e+035.10424e+031.80376e+032.90591e+03   
-2.97052e+03
LJ (SR)  Disper. corr.   Coulomb (SR)   Coul. recip.  
Potential
9.69125e+04   -1.59583e+03   -7.80231e+05   -3.04364e+04   
-6.98661e+05
Kinetic En.   Total EnergyTemperature Pres. DC (bar) Pressure 
(bar)
1.17775e+05   -5.80886e+052.97568e+02   -1.04033e+02
2.31825e+01

   Constr. rmsd
2.24598e-05



when i checked my errorfile i got this is because of segmentation fault..

my errorfile showed like this

Wrote pdb files with previous and current coordinates
Wrote pdb files with previous and current coordinates
/var/spool/PBS/mom_priv/jobs/244266.vega.SC http://244266.vega.SC: 
line 11: 26308 Segmentation fault  mdrun -s md.tpr -o md3.trr -c 
md3.pdb -e md3.edr -g md3.log -cpi state2.cpt -cpo state3.cpt -x 
traj3.xtc -noappend


There should be more descriptive error output somewhere. In any case, 
you are probably 
http://www.gromacs.org/Documentation/Terminology/Blowing_Up and need to 
follow the diagnostic advice there.


Mark

http://www.gromacs.org/Documentation/Terminology/Blowing_Up



i searched in archieves but i didnt get the point clearly...

can anyone please help me by explaining that reason for my problem and 
solve it.


i am waiting for your reply..

pls help me with your valuable answer..

i am using gromacs 4.5.5 version.

thanking you,






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Re: [gmx-users] mdrun segmentation fault

2011-04-11 Thread Justin A. Lemkul



shivangi nangia wrote:

Hello gmx users,

My system for NVT equilbration runs into segmentation fault as soon as I 
try to run it.

It does not give any warning or hint of what might be going wrong.
Since I am a new user I am having difficulty exploring the plausible 
reasons.


System: Protein( polyhistidine), 20  2,5-dihydroxybenzoic acid anions, 
1:1 water: methanol (~3000 molecules of each) in 8 nm cube



I had had EM of the system using steepest decent. Outcome:

Steepest Descents converged to machine precision in 15 steps, but did 
not reach the requested Fmax  1000.

Potential Energy  =  1.5354981e+19
Maximum force =inf on atom 651
Norm of force =inf



You were already told that this is the source of your problem and any procedure 
is destined to fail.  What's more, you were given hints on how to solve your issue:


http://lists.gromacs.org/pipermail/gmx-users/2011-April/060268.html

-Justin

--


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin


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Re: [gmx-users] mdrun segmentation fault

2011-04-10 Thread Mark Abraham

Hello gmx users,

My system for NVT equilbration runs into segmentation fault as soon as 
I try to run it.

It does not give any warning or hint of what might be going wrong.
Since I am a new user I am having difficulty exploring the plausible 
reasons.


System: Protein( polyhistidine), 20  2,5-dihydroxybenzoic acid anions, 
1:1 water: methanol (~3000 molecules of each) in 8 nm cube



I had had EM of the system using steepest decent. Outcome:

Steepest Descents converged to machine precision in 15 steps, but did 
not reach the requested Fmax  1000.

Potential Energy  =  1.5354981e+19
Maximum force =inf on atom 651
Norm of force =inf


So that's broken already - you have enormous positive energy and 
infinite forces. Stop there and fix it. Either your starting 
configuration has severe atomic overlaps (go and visualize it with the 
periodic box), or some of your topology is broken (try a box of methanol 
on its own, try the protein in vacuum, try a single acid in vacuum)


Mark


*The minim.mdp *is:
; minim.mdp - used as input into grompp to generate em.tpr
; Parameters describing what to do, when to stop and what to save
integrator  = steep ; Algorithm (steep = steepest descent 
minimization)
emtol= 1000.0; Stop minimization when the maximum force  
1000.0 kJ/mol/nm

emstep  = 0.02  ; Energy step size
nsteps  = 5 ; Maximum number of (minimization) steps to 
perform


; Parameters describing how to find the neighbors of each atom and how 
to calculate the interactions
nstlist = 1  ; Frequency to update the neighbor list and long 
range forces

ns_type = grid  ; Method to determine neighbor list (simple, grid)
rlist= 1.0; Cut-off for making neighbor list (short range forces)
coulombtype = PME; Treatment of long range electrostatic interactions
rcoulomb = 1.0; Short-range electrostatic cut-off
rvdw = 1.0; Short-range Van der Waals cut-off
pbc  = xyz   ; Periodic Boundary Conditions (yes/no)
constraints = none




*The nvt.mdp*:

title= hist NVT equilibration
define  = -DPOSRES  ; position restrain the protein
; Run parameters
integrator  = md ; leap-frog integrator
nsteps  = 5 ; 2 * 5 = 100 ps
dt= 0.002 ; 2 fs
; Output control
nstxout = 100; save coordinates every 0.2 ps
nstvout = 100; save velocities every 0.2 ps
nstenergy   = 100; save energies every 0.2 ps
nstlog  = 100; update log file every 0.2 ps
; Bond parameters
continuation   = no ; first dynamics run
constraint_algorithm = lincs  ; holonomic constraints
constraints = none ;
lincs_iter  = 1  ; accuracy of LINCS
lincs_order = 4  ; also related to accuracy
; Neighborsearching
ns_type = grid  ; search neighboring grid cells
nstlist = 5  ; 10 fs
rlist= 1.0; short-range neighborlist cutoff (in nm)
rcoulomb = 1.0; short-range electrostatic cutoff (in nm)
rvdw = 1.0; short-range van der Waals cutoff (in nm)
; Electrostatics
coulombtype = PME; Particle Mesh Ewald for long-range electrostatics
pme_order   = 4  ; cubic interpolation
fourierspacing = 0.16  ; grid spacing for FFT
; Temperature coupling is on
tcoupl  = V-rescale ; modified Berendsen thermostat
tc-grps = Protein Non-Protein   ; two coupling groups - more accurate
tau_t= 0.1 0.1   ; time constant, in ps
ref_t= 300300   ; reference temperature, one for each group, in K
; Pressure coupling is off
pcoupl  = no ; no pressure coupling in NVT
; Periodic boundary conditions
pbc  = xyz; 3-D PBC
; Dispersion correction
DispCorr = EnerPres  ; account for cut-off vdW scheme
; Velocity generation
gen_vel = yes; assign velocities from Maxwell distribution
gen_temp = 300; temperature for Maxwell distribution
gen_seed = -1 ; generate a random seed


I tried to decrease the step size, that also runs into seg fault error.


Kindly guide.

Thanks,
SN




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Re: [gmx-users] mdrun segmentation fault

2010-05-20 Thread Justin A. Lemkul



Sikandar Mashayak wrote:

Hi

I have gromacs input files for md simulation, with these set up files 
(*.mdp,*.top,*.itp *.gro), I can successfully run grompp and mdrun on 
one machine, but when I move it to other machine, I get segmentation 
fault when I do mdrun. Both the machines have exactly same types of 
installation of gromacs 4.0.7 . Also, I can run water tutorials 
successfully on both the machines.


So what could be the source of segmentation fault?



MD is chaotic, so you may not get the same result every time you run a 
simulation.  Since you've not said how quickly the seg fault occurs it is 
exceptionally hard to diagnose.  Generally, seg faults with mdrun occur because 
the system crashes from an instability.  Without substantially more information 
(system contents, .mdp settings, relevant log file output, etc) there is not 
much more to suggest.


-Justin


thanks
sikandar



--


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin


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Re: [gmx-users] mdrun segmentation fault

2010-05-20 Thread Sikandar Mashayak
It happens immediately at step 0., and the log file looks like :



Input Parameters:
   integrator   = md
   nsteps   = 2
   init_step= 0
   ns_type  = Grid
   nstlist  = 10
   ndelta   = 2
   nstcomm  = 0
   comm_mode= Linear
   nstlog   = 1000
   nstxout  = 600
   nstvout  = 600
   nstfout  = 600
   nstenergy= 1000
   nstxtcout= 1000
   init_t   = 0
   delta_t  = 0.001
   xtcprec  = 1
   nkx  = 44
   nky  = 42
   nkz  = 120
   pme_order= 4
   ewald_rtol   = 1e-05
   ewald_geometry   = 1
   epsilon_surface  = -1
   optimize_fft = FALSE
   ePBC = xyz
   bPeriodicMols= FALSE
   bContinuation= FALSE
   bShakeSOR= FALSE
   etc  = Nose-Hoover
   epc  = No
   epctype  = Isotropic
   tau_p= 1
   ref_p (3x3):
  ref_p[0]={ 0.0e+00,  0.0e+00,  0.0e+00}
  ref_p[1]={ 0.0e+00,  0.0e+00,  0.0e+00}
  ref_p[2]={ 0.0e+00,  0.0e+00,  0.0e+00}
   compress (3x3):
  compress[0]={ 0.0e+00,  0.0e+00,  0.0e+00}
  compress[1]={ 0.0e+00,  0.0e+00,  0.0e+00}
  compress[2]={ 0.0e+00,  0.0e+00,  0.0e+00}
   refcoord_scaling = No
   posres_com (3):
  posres_com[0]= 0.0e+00
  posres_com[1]= 0.0e+00
  posres_com[2]= 0.0e+00
   posres_comB (3):
  posres_comB[0]= 0.0e+00
  posres_comB[1]= 0.0e+00
  posres_comB[2]= 0.0e+00
   andersen_seed= 815131
   rlist= 1.1
   rtpi = 0.05
   coulombtype  = PME
   rcoulomb_switch  = 0
   rcoulomb = 1.1
   vdwtype  = Cut-off
   rvdw_switch  = 0
   rvdw = 1.1
   epsilon_r= 1
   epsilon_rf   = 1
   tabext   = 1
   implicit_solvent = No
   gb_algorithm = Still
   gb_epsilon_solvent   = 80
   nstgbradii   = 1
   rgbradii = 2
   gb_saltconc  = 0
   gb_obc_alpha = 1
   gb_obc_beta  = 0.8
   gb_obc_gamma = 4.85
   sa_surface_tension   = 2.092
   DispCorr = EnerPres
   free_energy  = no
   init_lambda  = 0
   sc_alpha = 0
   sc_power = 0
   sc_sigma = 0.3
   delta_lambda = 0
   nwall= 0
   wall_type= 9-3
   wall_atomtype[0] = -1
   wall_atomtype[1] = -1
   wall_density[0]  = 0
   wall_density[1]  = 0
   wall_ewald_zfac  = 3
   pull = no
   disre= No
   disre_weighting  = Conservative
   disre_mixed  = FALSE
   dr_fc= 1000
   dr_tau   = 0
   nstdisreout  = 100
   orires_fc= 0
   orires_tau   = 0
   nstorireout  = 100
   dihre-fc = 1000
   em_stepsize  = 0.01
   em_tol   = 100
   niter= 20
   fc_stepsize  = 0
   nstcgsteep   = 1000
   nbfgscorr= 10
   ConstAlg = Lincs
   shake_tol= 0.0001
   lincs_order  = 4
   lincs_warnangle  = 30
   lincs_iter   = 1
   bd_fric  = 0
   ld_seed  = 1993
   cos_accel= 0
   deform (3x3):
  deform[0]={ 0.0e+00,  0.0e+00,  0.0e+00}
  deform[1]={ 0.0e+00,  0.0e+00,  0.0e+00}
  deform[2]={ 0.0e+00,  0.0e+00,  0.0e+00}
   userint1 = 0
   userint2 = 0
   userint3 = 0
   userint4 = 0
   userreal1= 0
   userreal2= 0
   userreal3= 0
   userreal4= 0
grpopts:
   nrdf:   0   12822
   ref_t:   0 300
   tau_t:   0 0.2
anneal:  No  No
ann_npoints:   0   0
   acc:   0   0   0
   nfreeze:   Y   Y   Y   N
N   N
   energygrp_flags[  0]: 1 0
   energygrp_flags[  1]: 0 0
   efield-x:
  n = 0
   efield-xt:
  n = 0
   efield-y:
  n = 0
   efield-yt:
  n = 0
   efield-z:
  n = 0
   efield-zt:
  n = 0
   bQMMM= FALSE
   QMconstraints= 0
   QMMMscheme   = 0
   scalefactor  = 1
qm_opts:
   ngQM = 0
Table routines are used for coulomb: TRUE
Table routines are used for vdw: FALSE
Will do PME sum in reciprocal space.

 PLEASE READ AND CITE THE FOLLOWING REFERENCE 
U. Essman, L. Perela, M. L. Berkowitz, T. Darden, H. Lee and L. G. Pedersen
A smooth particle mesh Ewald method
J. Chem. Phys. 103 (1995) 

Re: [gmx-users] mdrun segmentation fault

2010-05-20 Thread Justin A. Lemkul



Sikandar Mashayak wrote:

It happens immediately at step 0., and the log file looks like :




That suggests to me that the system is inherently unstable, which can occur for 
a variety of reasons.


http://www.gromacs.org/Documentation/Terminology/Blowing_Up

A few more comments below.



Input Parameters:
   integrator   = md
   nsteps   = 2
   init_step= 0
   ns_type  = Grid
   nstlist  = 10
   ndelta   = 2
   nstcomm  = 0
   comm_mode= Linear
   nstlog   = 1000
   nstxout  = 600
   nstvout  = 600
   nstfout  = 600
   nstenergy= 1000
   nstxtcout= 1000
   init_t   = 0
   delta_t  = 0.001
   xtcprec  = 1
   nkx  = 44
   nky  = 42
   nkz  = 120
   pme_order= 4
   ewald_rtol   = 1e-05
   ewald_geometry   = 1
   epsilon_surface  = -1
   optimize_fft = FALSE
   ePBC = xyz
   bPeriodicMols= FALSE
   bContinuation= FALSE
   bShakeSOR= FALSE
   etc  = Nose-Hoover
   epc  = No
   epctype  = Isotropic
   tau_p= 1
   ref_p (3x3):
  ref_p[0]={ 0.0e+00,  0.0e+00,  0.0e+00}
  ref_p[1]={ 0.0e+00,  0.0e+00,  0.0e+00}
  ref_p[2]={ 0.0e+00,  0.0e+00,  0.0e+00}
   compress (3x3):
  compress[0]={ 0.0e+00,  0.0e+00,  0.0e+00}
  compress[1]={ 0.0e+00,  0.0e+00,  0.0e+00}
  compress[2]={ 0.0e+00,  0.0e+00,  0.0e+00}
   refcoord_scaling = No
   posres_com (3):
  posres_com[0]= 0.0e+00
  posres_com[1]= 0.0e+00
  posres_com[2]= 0.0e+00
   posres_comB (3):
  posres_comB[0]= 0.0e+00
  posres_comB[1]= 0.0e+00
  posres_comB[2]= 0.0e+00
   andersen_seed= 815131
   rlist= 1.1
   rtpi = 0.05
   coulombtype  = PME
   rcoulomb_switch  = 0
   rcoulomb = 1.1
   vdwtype  = Cut-off
   rvdw_switch  = 0
   rvdw = 1.1
   epsilon_r= 1
   epsilon_rf   = 1
   tabext   = 1
   implicit_solvent = No
   gb_algorithm = Still
   gb_epsilon_solvent   = 80
   nstgbradii   = 1
   rgbradii = 2
   gb_saltconc  = 0
   gb_obc_alpha = 1
   gb_obc_beta  = 0.8
   gb_obc_gamma = 4.85
   sa_surface_tension   = 2.092
   DispCorr = EnerPres
   free_energy  = no
   init_lambda  = 0
   sc_alpha = 0
   sc_power = 0
   sc_sigma = 0.3
   delta_lambda = 0
   nwall= 0
   wall_type= 9-3
   wall_atomtype[0] = -1
   wall_atomtype[1] = -1
   wall_density[0]  = 0
   wall_density[1]  = 0
   wall_ewald_zfac  = 3
   pull = no
   disre= No
   disre_weighting  = Conservative
   disre_mixed  = FALSE
   dr_fc= 1000
   dr_tau   = 0
   nstdisreout  = 100
   orires_fc= 0
   orires_tau   = 0
   nstorireout  = 100
   dihre-fc = 1000
   em_stepsize  = 0.01
   em_tol   = 100
   niter= 20
   fc_stepsize  = 0
   nstcgsteep   = 1000
   nbfgscorr= 10
   ConstAlg = Lincs
   shake_tol= 0.0001
   lincs_order  = 4
   lincs_warnangle  = 30
   lincs_iter   = 1
   bd_fric  = 0
   ld_seed  = 1993
   cos_accel= 0
   deform (3x3):
  deform[0]={ 0.0e+00,  0.0e+00,  0.0e+00}
  deform[1]={ 0.0e+00,  0.0e+00,  0.0e+00}
  deform[2]={ 0.0e+00,  0.0e+00,  0.0e+00}
   userint1 = 0
   userint2 = 0
   userint3 = 0
   userint4 = 0
   userreal1= 0
   userreal2= 0
   userreal3= 0
   userreal4= 0
grpopts:
   nrdf:   0   12822
   ref_t:   0 300
   tau_t:   0 0.2
anneal:  No  No
ann_npoints:   0   0
   acc:   0   0   0
   nfreeze:   Y   Y   Y   N   
N   N

   energygrp_flags[  0]: 1 0
   energygrp_flags[  1]: 0 0
   efield-x:
  n = 0
   efield-xt:
  n = 0
   efield-y:
  n = 0
   efield-yt:
  n = 0
   efield-z:
  n = 0
   efield-zt:
  n = 0
   bQMMM= FALSE
   QMconstraints= 0
   QMMMscheme   = 0
   scalefactor  = 1
qm_opts:
   ngQM = 0
Table routines are used for coulomb: TRUE
Table routines are used for vdw: 

Re: [gmx-users] mdrun segmentation fault

2009-08-28 Thread Justin A. Lemkul



sunny mishra wrote:

Dear all,

At the final step of my mdrun I get LINCS warning. I don't know whats 
the issue. Please help me out.





If I had a nickel for every time I saw a LINCS warning on this list... :)

The answer is always the same.  There is something physically unrealistic about 
your simulation such that it is blowing up.  See here:


http://www.gromacs.org/WIKI-import/Blowing_Up

And the relevant entry here:

http://www.gromacs.org/WIKI-import/Main_Page/Errors

-Justin


Step 0, time 0 (ps)  LINCS WARNING
relative constraint deviation after LINCS:
rms 51.050964, max 314.598846 (between atoms 3 and 4)
bonds that rotated more than 30 degrees:
 atom 1 atom 2  angle  previous, current, constraint length
 51 52   90.00.2700  16.3676  0.2700  
 51 53   90.00.2700  17.4243  0.2700  
 52 53   90.20.2700   2.1691  0.2700  
 57 58   90.00.2700  19.9248  0.2700  
 57 59   90.00.2700  27.7437  0.2700  
 58 59   89.90.2700   9.5994  0.2700  
 67 68   89.10.2700  11.0711  0.2700  
 67 69   89.50.2700  17.3915  0.2700  
 68 69   89.10.2700   8.9722  0.2700  
 68 70   88.70.2700   7.4897  0.2700  
 69 70   89.10.2700  10.5427  0.2700  
 74 75   90.00.2700  15.9658  0.2700  
 74 76   90.00.2700  14.3261  0.2700  
 75 76   90.00.2700  15.3014  0.2700  
 78 79   53.00.2700   0.3682  0.2700  
 78 80   36.00.2700   0.2621  0.2700  
 79 80   78.80.2700   0.3108  0.2700  
 79 81   74.60.2700   0.2500  0.2700  
 96 97   90.00.2700   5.6881  0.2700  
 96 98   90.00.2700  12.4635  0.2700  
 97 98   90.00.2700  12.2473  0.2700  
105106   92.00.2700   5.3689  0.2700  
105107   90.90.2700   4.9643  0.2700  
106107   89.50.2700   5.2502  0.2700  
106108   90.20.2700  12.9074  0.2700  
107108   89.80.2700  13.3348  0.2700  
123124   90.00.2700   0.3295  0.2700  
123125   90.00.2700   0.4033  0.2700  
124125   90.00.2700   0.4582  0.2700  
134135   89.80.2700   7.5418  0.2700  
134136   89.80.2700   7.6180  0.2700  
135136   89.80.2700   7.5943  0.2700  
177178   90.00.2700  21.0157  0.2700  
177179   90.00.2700  21.3382  0.2700  
178179   90.00.2700   5.0506  0.2700  
206207   90.10.2700   3.7166  0.2700  
206208   90.00.2700  17.1633  0.2700  
207208   90.00.2700  14.3937  0.2700  
210211   90.00.2700   1.4919  0.2700  
210212   90.00.2700   1.4477  0.2700  
229230   89.90.2700  46.6891  0.2700  
229231   89.80.2700  12.4685  0.2700  
230231   89.90.2700  34.3535  0.2700  
233234   90.00.2700  17.0640  0.2700  
233235   90.00.2700  12.0837  0.2700  
234235   90.00.2700  21.1578  0.2700  
240241   90.10.2700  14.3404  0.2700  
240242   89.90.2700   5.5938  0.2700  
241242   89.50.2700  10.7072  0.2700  
241243   90.10.2700  11.1853  0.2700  
242243   89.90.2700  14.6316  0.2700  
278279   90.40.2700   0.4126  0.2700  
278280   90.30.2700   0.6367  0.2700  
279280   90.30.2700   0.6632  0.2700  
321322   90.10.2700  13.7866  0.2700  
321323   90.10.2700   8.6467  0.2700  
322323   90.10.2700   6.2637  0.2700  
325327   89.90.2700   5.2665  0.2700  
326327   89.90.2700   5.3472  0.2700  
343344   90.20.2700   5.8168  0.2700  
343345   90.50.2700   5.0440  0.2700  
344345   90.20.2700   5.9636  0.2700  
344346   89.70.2700   6.8436  0.2700  
345346   89.50.2700   2.4697  0.2700  
364365   89.90.2700   1.8601  0.2700  
364366   90.00.2700   2.8203  0.2700  
365366   89.90.2700   1.4138  0.2700  
389390   90.00.2700   0.4660  0.2700  
389391   90.00.2700   0.4625  0.2700  
390391   90.00.2700   0.4644  0.2700  
417418   89.90.2700   3.9010  0.2700  
417419   89.90.2700   3.8294  0.2700  
418