About the calculation1

From NWChem

Viewed 160 times, With a total of 3 Posts
Jump to: navigation, search

Clicked A Few Times
Threads 4
Posts 16
Sender: LSF System <lsfadmin@c14n08>
Subject: Job 144313: </gpfssan1/home/**/NWChem/bin/nwchem pd26.nw> in cluster <seu_hpc_cluster1> Exited

Job </gpfssan1/home/**/NWChem/bin/nwchem pd26.nw> was submitted from host <c01n08> by user <**> in cluster <seu_hpc_cluster1>.
Job was executed on host(s) <12*c14n08>, in queue <seu_chem>, as user <**> in cluster <seu_hpc_cluster1>.
</gpfssan1/home/**> was used as the home directory.
</gpfssan1/home/**/g09b01/try> was used as the working directory.
Started at Results reported on
Your job looked like:



  1. LSBATCH: User input
/gpfssan1/home/**/NWChem/bin/nwchem pd26.nw



Exited with exit code 255.

Resource usage summary:

   CPU time :                                   10659.65 sec.
Max Memory : 240 MB
Average Memory : 198.32 MB
Total Requested Memory : -
Delta Memory : -
Max Swap : 924 MB
Max Processes : 4
Max Threads : 7
Run time : 10949 sec.
Turnaround time : 11123 sec.

The output (if any) follows:

argument  1 = pd26.nw



======================== echo of input deck ========================
echo
start Pd26
charge 0
title Pd26
geometry
Pd 0.0000000 0.0000000 -2.3898578
Pd -2.3559749 1.3484216 -2.2197693
Pd -2.3559749 -1.3484216 -2.2197693
Pd 0.0102201 -2.7145449 -2.2197693
Pd 2.3457548 -1.3661234 -2.2197693
Pd 2.3457548 1.3661234 -2.2197693
Pd 0.0102201 2.7145449 -2.2197693
Pd -1.5538225 0.0000000 0.0000000
Pd -1.6177914 -2.8020968 0.0000000
Pd 0.7769112 -1.3456498 0.0000000
Pd 0.7769112 1.3456498 0.0000000
Pd -1.6177914 2.8020968 0.0000000
Pd -3.8963130 1.3540399 0.0000000
Pd -3.8963130 -1.3540399 0.0000000
Pd 3.1207894 -2.6972861 0.0000000
Pd 3.1207894 2.6972861 0.0000000
Pd 3.2355827 0.0000000 0.0000000
Pd 0.7755236 -4.0513260 0.0000000
Pd 0.7755236 4.0513260 0.0000000
Pd 0.0000000 0.0000000 2.3898578
Pd -2.3559749 1.3484216 2.2197693
Pd -2.3559749 -1.3484216 2.2197693
Pd 0.0102201 -2.7145449 2.2197693
Pd 2.3457548 -1.3661234 2.2197693
Pd 2.3457548 1.3661234 2.2197693
Pd 0.0102201 2.7145449 2.2197693
end

BASIS "ao basis" PRINT
Pd S
   208.1230000              0.0007270             -0.0001890              0.0008000
22.8525000 -0.0409280 0.0098180 -0.0417810
14.2986000 0.1922850 -0.0528760 0.1593620
5.4880100 -0.6501040 0.2035110 -0.5231230
1.3253200 0.8565530 -0.3639350 1.4917730
0.5989570 0.4438760 -0.2582190 -0.7916960
0.1209830 0.0178500 0.5704320 -1.5172540
Pd S
     0.0434590              1.0000000
Pd P
    14.0509000              0.0379970             -0.0093130             -0.0186030
7.1390600 -0.2040770 0.0546710 0.1098650
1.8300700 0.5137680 -0.1661610 -0.3664000
0.8583350 0.4942400 -0.1858420 -0.3473160
0.3772750 0.1402910 0.0731610 0.4820340
0.1256960 0.0051570 0.5861720 0.7096400
Pd P
     0.0426590              1.0000000
Pd D
    19.2539000              0.0066240             -0.0078390
10.5848000 -0.0184110 0.0218380
2.4561900 0.2633960 -0.3691550
1.0352900 0.4524480 -0.4309590
0.4020080 0.3758330 0.3749650
Pd D
     0.1370570              1.0000000
Pd F
     1.1484000              1.0000000
END

ECP
Pd nelec 28
Pd ul
2 1.0000000 0.0000000
Pd S
2 12.79882500 240.26278900
2 5.80052800 34.72996100
Pd P
2 11.87469700 56.74692900
2 11.47433500 113.44441700
2 5.51599900 9.34563900
2 5.24804300 18.34544700
Pd D
2 8.50221200 28.59555400
2 7.98332400 43.45392100
2 3.10762800 1.85228600
2 2.47673400 1.40676500
Pd F
2 9.67957100 -10.98725500
2 9.69134900 -14.62619000
END

dft
grid xfine
convergence energy 1e-8
xc PBE0
mult 1
end

task dft energy
task dft optimize
tast dft frequence
====================================================================


                                        



Northwest Computational Chemistry Package (NWChem) 6.6
------------------------------------------------------


Environmental Molecular Sciences Laboratory
Pacific Northwest National Laboratory
Richland, WA 99352

Copyright (c) 1994-2015
Pacific Northwest National Laboratory
Battelle Memorial Institute

NWChem is an open-source computational chemistry package
distributed under the terms of the
Educational Community License (ECL) 2.0
A copy of the license is included with this distribution
in the LICENSE.TXT file

ACKNOWLEDGMENT
--------------

           This software and its documentation were developed at the
EMSL at Pacific Northwest National Laboratory, a multiprogram
national laboratory, operated for the U.S. Department of Energy
by Battelle under Contract Number DE-AC05-76RL01830. Support
for this work was provided by the Department of Energy Office
of Biological and Environmental Research, Office of Basic
Energy Sciences, and the Office of Advanced Scientific Computing.


          Job information
---------------

   hostname        = c14n08
program = /gpfssan1/home/qiqi/NWChem/bin/nwchem
date = Tue Jun 12 17:35:34 2018

   compiled        = ?_10?_18_15:50:38_2016
source = /gpfssan1/home/qiqi/nwchem-6.6
nwchem branch = 6.6
nwchem revision = 27746
ga revision = 10594
input = pd26.nw
prefix = Pd26.
data base = ./Pd26.db
status = startup
nproc = 1
time left = -1s
batch job id = 144313

          Memory information
------------------

   heap     =   13107196 doubles =    100.0 Mbytes
stack = 13107201 doubles = 100.0 Mbytes
global = 26214400 doubles = 200.0 Mbytes (distinct from heap & stack)
total = 52428797 doubles = 400.0 Mbytes
verify = yes
hardfail = no


          Directory information
---------------------

0 permanent = .
0 scratch = .




NWChem Input Module
-------------------


Pd26
----

Scaling coordinates for geometry "geometry" by  1.889725989
(inverse scale = 0.529177249)

D3H symmetry detected

         ------
auto-z
------
warning. autoz generated 9 bonds for atom 1
warning. autoz generated 12 bonds for atom 8
warning. autoz generated 8 bonds for atom 9
warning. autoz generated 12 bonds for atom 10
warning. autoz generated 12 bonds for atom 11
warning. autoz generated 8 bonds for atom 12
warning. autoz generated 8 bonds for atom 17
warning. autoz generated 9 bonds for atom 20
autoz: too many torsions
1 autoz failed with cvr_scaling = 1.2 changing to 1.3
warning. autoz generated 9 bonds for atom 1
warning. autoz generated 12 bonds for atom 8
warning. autoz generated 8 bonds for atom 9
warning. autoz generated 12 bonds for atom 10
warning. autoz generated 12 bonds for atom 11
warning. autoz generated 8 bonds for atom 12
warning. autoz generated 8 bonds for atom 17
warning. autoz generated 9 bonds for atom 20
autoz: too many torsions
2 autoz failed with cvr_scaling = 1.3 changing to 1.4
warning. autoz generated 9 bonds for atom 1
warning. autoz generated 8 bonds for atom 2
warning. autoz generated 8 bonds for atom 3
warning. autoz generated 8 bonds for atom 4
warning. autoz generated 8 bonds for atom 5
warning. autoz generated 8 bonds for atom 6
warning. autoz generated 8 bonds for atom 7
warning. autoz generated 16 bonds for atom 8
warning. autoz generated 8 bonds for atom 9
warning. autoz generated 16 bonds for atom 10
warning. autoz generated 16 bonds for atom 11
warning. autoz generated 8 bonds for atom 12
warning. autoz generated 7 bonds for atom 13
warning. autoz generated 7 bonds for atom 14
warning. autoz generated 7 bonds for atom 15
warning. autoz generated 7 bonds for atom 16
warning. autoz generated 8 bonds for atom 17
warning. autoz generated 7 bonds for atom 18
warning. autoz generated 7 bonds for atom 19
warning. autoz generated 9 bonds for atom 20
warning. autoz generated 8 bonds for atom 21
warning. autoz generated 8 bonds for atom 22
warning. autoz generated 8 bonds for atom 23
warning. autoz generated 8 bonds for atom 24
warning. autoz generated 8 bonds for atom 25
warning. autoz generated 8 bonds for atom 26
autoz: too many torsions
3 autoz failed with cvr_scaling = 1.4 changing to 1.5
warning. autoz generated 12 bonds for atom 1
warning. autoz generated 8 bonds for atom 2
warning. autoz generated 8 bonds for atom 3
warning. autoz generated 8 bonds for atom 4
warning. autoz generated 8 bonds for atom 5
warning. autoz generated 8 bonds for atom 6
warning. autoz generated 8 bonds for atom 7
warning. autoz generated 16 bonds for atom 8
warning. autoz generated 10 bonds for atom 9
warning. autoz generated 16 bonds for atom 10
warning. autoz generated 16 bonds for atom 11
warning. autoz generated 10 bonds for atom 12
warning. autoz generated 7 bonds for atom 13
warning. autoz generated 7 bonds for atom 14
warning. autoz generated 7 bonds for atom 15
warning. autoz generated 7 bonds for atom 16
warning. autoz generated 10 bonds for atom 17
warning. autoz generated 7 bonds for atom 18
warning. autoz generated 7 bonds for atom 19
warning. autoz generated 12 bonds for atom 20
warning. autoz generated 8 bonds for atom 21
warning. autoz generated 8 bonds for atom 22
warning. autoz generated 8 bonds for atom 23
warning. autoz generated 8 bonds for atom 24
warning. autoz generated 8 bonds for atom 25
warning. autoz generated 8 bonds for atom 26
autoz: too many torsions
4 autoz failed with cvr_scaling = 1.5 changing to 1.6
warning. autoz generated 12 bonds for atom 1
warning. autoz generated 9 bonds for atom 2
warning. autoz generated 9 bonds for atom 3
warning. autoz generated 9 bonds for atom 4
warning. autoz generated 9 bonds for atom 5
warning. autoz generated 9 bonds for atom 6
warning. autoz generated 9 bonds for atom 7
warning. autoz generated 16 bonds for atom 8
warning. autoz generated 10 bonds for atom 9
warning. autoz generated 16 bonds for atom 10
warning. autoz generated 16 bonds for atom 11
warning. autoz generated 10 bonds for atom 12
warning. autoz generated 7 bonds for atom 13
warning. autoz generated 7 bonds for atom 14
warning. autoz generated 7 bonds for atom 15
warning. autoz generated 7 bonds for atom 16
warning. autoz generated 10 bonds for atom 17
warning. autoz generated 7 bonds for atom 18
warning. autoz generated 7 bonds for atom 19
warning. autoz generated 12 bonds for atom 20
warning. autoz generated 9 bonds for atom 21
warning. autoz generated 9 bonds for atom 22
warning. autoz generated 9 bonds for atom 23
warning. autoz generated 9 bonds for atom 24
warning. autoz generated 9 bonds for atom 25
warning. autoz generated 9 bonds for atom 26
autoz: too many torsions
5 autoz failed with cvr_scaling = 1.6 changing to 1.7
warning. autoz generated 12 bonds for atom 1
warning. autoz generated 13 bonds for atom 2
warning. autoz generated 13 bonds for atom 3
warning. autoz generated 13 bonds for atom 4
warning. autoz generated 13 bonds for atom 5
warning. autoz generated 13 bonds for atom 6
warning. autoz generated 13 bonds for atom 7
warning. autoz generated 22 bonds for atom 8
warning. autoz generated 10 bonds for atom 9
warning. autoz generated 22 bonds for atom 10
warning. autoz generated 22 bonds for atom 11
warning. autoz generated 10 bonds for atom 12
warning. autoz generated 10 bonds for atom 13
warning. autoz generated 10 bonds for atom 14
warning. autoz generated 10 bonds for atom 15
warning. autoz generated 10 bonds for atom 16
warning. autoz generated 10 bonds for atom 17
warning. autoz generated 10 bonds for atom 18
warning. autoz generated 10 bonds for atom 19
warning. autoz generated 12 bonds for atom 20
warning. autoz generated 13 bonds for atom 21
warning. autoz generated 13 bonds for atom 22
warning. autoz generated 13 bonds for atom 23
warning. autoz generated 13 bonds for atom 24
warning. autoz generated 13 bonds for atom 25
warning. autoz generated 13 bonds for atom 26
autoz: too many torsions

AUTOZ failed to generate good internal coordinates.
Cartesian coordinates will be used in optimizations.



Geometry "geometry" -> ""
-------------------------

Output coordinates in angstroms (scale by 1.889725989 to convert to a.u.)

No. Tag Charge X Y Z
---- ---------------- ---------- -------------- -------------- --------------
1 Pd 46.0000 0.00000000 0.00000000 -2.38985780
2 Pd 46.0000 -2.61940388 -0.71244780 -2.21976930
3 Pd 46.0000 -0.71244780 -2.61940388 -2.21976930
4 Pd 46.0000 1.92669984 -1.91224641 -2.21976930
5 Pd 46.0000 2.62469421 0.69270405 -2.21976930
6 Pd 46.0000 0.69270405 2.62469421 -2.21976930
7 Pd 46.0000 -1.91224641 1.92669984 -2.21976930
8 Pd 46.0000 -1.09871843 -1.09871843 0.00000000
9 Pd 46.0000 0.83743043 -3.12533290 0.00000000
10 Pd 46.0000 1.50087729 -0.40215886 0.00000000
11 Pd 46.0000 -0.40215886 1.50087729 0.00000000
12 Pd 46.0000 -3.12533290 0.83743043 0.00000000
13 Pd 46.0000 -3.71256012 -1.79765857 0.00000000
14 Pd 46.0000 -1.79765857 -3.71256012 0.00000000
15 Pd 46.0000 4.11400067 0.29946207 0.00000000
16 Pd 46.0000 0.29946207 4.11400067 0.00000000
17 Pd 46.0000 2.28790247 2.28790247 0.00000000
18 Pd 46.0000 3.41309805 -2.31634209 0.00000000
19 Pd 46.0000 -2.31634209 3.41309805 0.00000000
20 Pd 46.0000 0.00000000 0.00000000 2.38985780
21 Pd 46.0000 -2.61940388 -0.71244780 2.21976930
22 Pd 46.0000 -0.71244780 -2.61940388 2.21976930
23 Pd 46.0000 1.92669984 -1.91224641 2.21976930
24 Pd 46.0000 2.62469421 0.69270405 2.21976930
25 Pd 46.0000 0.69270405 2.62469421 2.21976930
26 Pd 46.0000 -1.91224641 1.92669984 2.21976930

Atomic Mass
-----------

Pd 105.903200


Effective nuclear repulsion energy (a.u.)   87528.6766630519

           Nuclear Dipole moment (a.u.) 
----------------------------
X Y Z
---------------- ---------------- ----------------
0.0000000000 0.0000000000 0.0000000000

Symmetry information
--------------------

Group name D3h
Group number 27
Group order 12
No. of unique centers 5

Symmetry unique atoms

1 2 8 9 13


XYZ format geometry
-------------------
26
geometry
Pd 0.00000000 0.00000000 -2.38985780
Pd -2.61940388 -0.71244780 -2.21976930
Pd -0.71244780 -2.61940388 -2.21976930
Pd 1.92669984 -1.91224641 -2.21976930
Pd 2.62469421 0.69270405 -2.21976930
Pd 0.69270405 2.62469421 -2.21976930
Pd -1.91224641 1.92669984 -2.21976930
Pd -1.09871843 -1.09871843 0.00000000
Pd 0.83743043 -3.12533290 0.00000000
Pd 1.50087729 -0.40215886 0.00000000
Pd -0.40215886 1.50087729 0.00000000
Pd -3.12533290 0.83743043 0.00000000
Pd -3.71256012 -1.79765857 0.00000000
Pd -1.79765857 -3.71256012 0.00000000
Pd 4.11400067 0.29946207 0.00000000
Pd 0.29946207 4.11400067 0.00000000
Pd 2.28790247 2.28790247 0.00000000
Pd 3.41309805 -2.31634209 0.00000000
Pd -2.31634209 3.41309805 0.00000000
Pd 0.00000000 0.00000000 2.38985780
Pd -2.61940388 -0.71244780 2.21976930
Pd -0.71244780 -2.61940388 2.21976930
Pd 1.92669984 -1.91224641 2.21976930
Pd 2.62469421 0.69270405 2.21976930
Pd 0.69270405 2.62469421 2.21976930
Pd -1.91224641 1.92669984 2.21976930

============================================================================== internuclear distances
------------------------------------------------------------------------------
center one | center two | atomic units | angstroms
------------------------------------------------------------------------------
2 Pd | 1 Pd | 5.13984 | 2.71989
3 Pd | 1 Pd | 5.13984 | 2.71989
3 Pd | 2 Pd | 5.09629 | 2.69684
4 Pd | 1 Pd | 5.13984 | 2.71989
4 Pd | 3 Pd | 5.16320 | 2.73225
5 Pd | 1 Pd | 5.13984 | 2.71989
5 Pd | 4 Pd | 5.09629 | 2.69684
6 Pd | 1 Pd | 5.13984 | 2.71989
6 Pd | 5 Pd | 5.16320 | 2.73225
7 Pd | 1 Pd | 5.13984 | 2.71989
7 Pd | 2 Pd | 5.16320 | 2.73225
7 Pd | 6 Pd | 5.09629 | 2.69684
8 Pd | 1 Pd | 5.38681 | 2.85058
8 Pd | 2 Pd | 5.13681 | 2.71828
8 Pd | 3 Pd | 5.13681 | 2.71828
9 Pd | 3 Pd | 5.20463 | 2.75417
9 Pd | 4 Pd | 5.20463 | 2.75417
9 Pd | 8 Pd | 5.29657 | 2.80283
10 Pd | 1 Pd | 5.38681 | 2.85058
10 Pd | 4 Pd | 5.13681 | 2.71828
10 Pd | 5 Pd | 5.13681 | 2.71828
10 Pd | 8 Pd | 5.08582 | 2.69130
10 Pd | 9 Pd | 5.29657 | 2.80283
11 Pd | 1 Pd | 5.38681 | 2.85058
11 Pd | 6 Pd | 5.13681 | 2.71828
11 Pd | 7 Pd | 5.13681 | 2.71828
11 Pd | 8 Pd | 5.08582 | 2.69130
11 Pd | 10 Pd | 5.08582 | 2.69130
12 Pd | 2 Pd | 5.20463 | 2.75417
12 Pd | 7 Pd | 5.20463 | 2.75417
12 Pd | 8 Pd | 5.29657 | 2.80283
12 Pd | 11 Pd | 5.29657 | 2.80283
13 Pd | 2 Pd | 5.10578 | 2.70186
13 Pd | 8 Pd | 5.11299 | 2.70568
13 Pd | 12 Pd | 5.10175 | 2.69973
14 Pd | 3 Pd | 5.10578 | 2.70186
14 Pd | 8 Pd | 5.11299 | 2.70568
14 Pd | 9 Pd | 5.10175 | 2.69973
14 Pd | 13 Pd | 5.11753 | 2.70808
15 Pd | 5 Pd | 5.10578 | 2.70186
15 Pd | 10 Pd | 5.11299 | 2.70568
16 Pd | 6 Pd | 5.10578 | 2.70186
16 Pd | 11 Pd | 5.11299 | 2.70568
17 Pd | 5 Pd | 5.20463 | 2.75417
17 Pd | 6 Pd | 5.20463 | 2.75417
17 Pd | 10 Pd | 5.29657 | 2.80283
17 Pd | 11 Pd | 5.29657 | 2.80283
17 Pd | 15 Pd | 5.10175 | 2.69973
17 Pd | 16 Pd | 5.10175 | 2.69973
18 Pd | 4 Pd | 5.10578 | 2.70186
18 Pd | 9 Pd | 5.10175 | 2.69973
18 Pd | 10 Pd | 5.11299 | 2.70568
18 Pd | 15 Pd | 5.11753 | 2.70808
19 Pd | 7 Pd | 5.10578 | 2.70186
19 Pd | 11 Pd | 5.11299 | 2.70568
19 Pd | 12 Pd | 5.10175 | 2.69973
19 Pd | 16 Pd | 5.11753 | 2.70808
20 Pd | 8 Pd | 5.38681 | 2.85058
20 Pd | 10 Pd | 5.38681 | 2.85058
20 Pd | 11 Pd | 5.38681 | 2.85058
21 Pd | 8 Pd | 5.13681 | 2.71828
21 Pd | 12 Pd | 5.20463 | 2.75417
21 Pd | 13 Pd | 5.10578 | 2.70186
21 Pd | 20 Pd | 5.13984 | 2.71989
22 Pd | 8 Pd | 5.13681 | 2.71828
22 Pd | 9 Pd | 5.20463 | 2.75417
22 Pd | 14 Pd | 5.10578 | 2.70186
22 Pd | 20 Pd | 5.13984 | 2.71989
22 Pd | 21 Pd | 5.09629 | 2.69684
23 Pd | 9 Pd | 5.20463 | 2.75417
23 Pd | 10 Pd | 5.13681 | 2.71828
23 Pd | 18 Pd | 5.10578 | 2.70186
23 Pd | 20 Pd | 5.13984 | 2.71989
23 Pd | 22 Pd | 5.16320 | 2.73225
24 Pd | 10 Pd | 5.13681 | 2.71828
24 Pd | 15 Pd | 5.10578 | 2.70186
24 Pd | 17 Pd | 5.20463 | 2.75417
24 Pd | 20 Pd | 5.13984 | 2.71989
24 Pd | 23 Pd | 5.09629 | 2.69684
25 Pd | 11 Pd | 5.13681 | 2.71828
25 Pd | 16 Pd | 5.10578 | 2.70186
25 Pd | 17 Pd | 5.20463 | 2.75417
25 Pd | 20 Pd | 5.13984 | 2.71989
25 Pd | 24 Pd | 5.16320 | 2.73225
26 Pd | 11 Pd | 5.13681 | 2.71828
26 Pd | 12 Pd | 5.20463 | 2.75417
26 Pd | 19 Pd | 5.10578 | 2.70186
26 Pd | 20 Pd | 5.13984 | 2.71989
26 Pd | 21 Pd | 5.16320 | 2.73225
26 Pd | 25 Pd | 5.09629 | 2.69684
------------------------------------------------------------------------------
number of included internuclear distances: 90
==============================================================================



==============================================================================
                                internuclear angles
------------------------------------------------------------------------------
center 1 | center 2 | center 3 | degrees
------------------------------------------------------------------------------
2 Pd | 1 Pd | 3 Pd | 59.44
2 Pd | 1 Pd | 4 Pd | 119.61
2 Pd | 1 Pd | 5 Pd | 172.82
2 Pd | 1 Pd | 6 Pd | 119.61
2 Pd | 1 Pd | 7 Pd | 60.30
1 Pd | 2 Pd | 8 Pd | 63.23
2 Pd | 1 Pd | 10 Pd | 114.69
2 Pd | 1 Pd | 11 Pd | 87.11
3 Pd | 1 Pd | 4 Pd | 60.30
3 Pd | 1 Pd | 5 Pd | 119.61
3 Pd | 1 Pd | 6 Pd | 172.82
3 Pd | 1 Pd | 7 Pd | 119.61
1 Pd | 3 Pd | 8 Pd | 63.23
3 Pd | 1 Pd | 10 Pd | 87.11
3 Pd | 1 Pd | 11 Pd | 114.69
1 Pd | 5 Pd | 4 Pd | 60.28
4 Pd | 1 Pd | 6 Pd | 119.61
4 Pd | 1 Pd | 7 Pd | 172.82
4 Pd | 1 Pd | 8 Pd | 87.11
1 Pd | 4 Pd | 10 Pd | 63.23
4 Pd | 1 Pd | 11 Pd | 114.69
5 Pd | 1 Pd | 6 Pd | 60.30
5 Pd | 1 Pd | 7 Pd | 119.61
5 Pd | 1 Pd | 8 Pd | 114.69
1 Pd | 5 Pd | 10 Pd | 63.23
5 Pd | 1 Pd | 11 Pd | 87.11
1 Pd | 6 Pd | 7 Pd | 60.28
6 Pd | 1 Pd | 8 Pd | 114.69
6 Pd | 1 Pd | 10 Pd | 87.11
1 Pd | 6 Pd | 11 Pd | 63.23
7 Pd | 1 Pd | 8 Pd | 87.11
7 Pd | 1 Pd | 10 Pd | 114.69
1 Pd | 7 Pd | 11 Pd | 63.23
8 Pd | 1 Pd | 10 Pd | 56.34
8 Pd | 1 Pd | 11 Pd | 56.34
10 Pd | 1 Pd | 11 Pd | 56.34
2 Pd | 1 Pd | 3 Pd | 59.44
2 Pd | 1 Pd | 7 Pd | 60.30
1 Pd | 2 Pd | 8 Pd | 63.23
1 Pd | 2 Pd | 12 Pd | 94.58
1 Pd | 2 Pd | 13 Pd | 123.11
3 Pd | 2 Pd | 7 Pd | 120.00
2 Pd | 8 Pd | 3 Pd | 59.48
3 Pd | 2 Pd | 12 Pd | 121.86
3 Pd | 2 Pd | 13 Pd | 90.12
7 Pd | 2 Pd | 8 Pd | 89.57
2 Pd | 7 Pd | 12 Pd | 60.26
7 Pd | 2 Pd | 13 Pd | 119.52
8 Pd | 2 Pd | 12 Pd | 61.61
2 Pd | 13 Pd | 8 Pd | 60.36
2 Pd | 13 Pd | 12 Pd | 61.31
3 Pd | 1 Pd | 2 Pd | 59.44
3 Pd | 1 Pd | 4 Pd | 60.30
1 Pd | 3 Pd | 8 Pd | 63.23
1 Pd | 3 Pd | 9 Pd | 94.58
1 Pd | 3 Pd | 14 Pd | 123.11
2 Pd | 3 Pd | 4 Pd | 120.00
3 Pd | 8 Pd | 2 Pd | 59.48
2 Pd | 3 Pd | 9 Pd | 121.86
2 Pd | 3 Pd | 14 Pd | 90.12
4 Pd | 3 Pd | 8 Pd | 89.57
3 Pd | 4 Pd | 9 Pd | 60.26
4 Pd | 3 Pd | 14 Pd | 119.52
8 Pd | 3 Pd | 9 Pd | 61.61
3 Pd | 14 Pd | 8 Pd | 60.36
3 Pd | 14 Pd | 9 Pd | 61.31
4 Pd | 1 Pd | 3 Pd | 60.30
4 Pd | 5 Pd | 1 Pd | 60.28
1 Pd | 4 Pd | 9 Pd | 94.58
1 Pd | 4 Pd | 10 Pd | 63.23
1 Pd | 4 Pd | 18 Pd | 123.11
3 Pd | 4 Pd | 5 Pd | 120.00
3 Pd | 4 Pd | 9 Pd | 60.26
3 Pd | 4 Pd | 10 Pd | 89.57
3 Pd | 4 Pd | 18 Pd | 119.52
5 Pd | 4 Pd | 9 Pd | 121.86
4 Pd | 5 Pd | 10 Pd | 60.26
5 Pd | 4 Pd | 18 Pd | 90.12
9 Pd | 4 Pd | 10 Pd | 61.61
4 Pd | 18 Pd | 9 Pd | 61.31
4 Pd | 18 Pd | 10 Pd | 60.36
1 Pd | 5 Pd | 4 Pd | 60.28
5 Pd | 1 Pd | 6 Pd | 60.30
1 Pd | 5 Pd | 10 Pd | 63.23
1 Pd | 5 Pd | 15 Pd | 123.11
1 Pd | 5 Pd | 17 Pd | 94.58
4 Pd | 5 Pd | 6 Pd | 120.00
4 Pd | 5 Pd | 10 Pd | 60.26
4 Pd | 5 Pd | 15 Pd | 90.12
4 Pd | 5 Pd | 17 Pd | 121.86
6 Pd | 5 Pd | 10 Pd | 89.57
6 Pd | 5 Pd | 15 Pd | 119.52
5 Pd | 17 Pd | 6 Pd | 59.47
5 Pd | 15 Pd | 10 Pd | 60.36
10 Pd | 5 Pd | 17 Pd | 61.61
5 Pd | 15 Pd | 17 Pd | 61.31
6 Pd | 1 Pd | 5 Pd | 60.30
1 Pd | 6 Pd | 7 Pd | 60.28
1 Pd | 6 Pd | 11 Pd | 63.23
1 Pd | 6 Pd | 16 Pd | 123.11
1 Pd | 6 Pd | 17 Pd | 94.58
5 Pd | 6 Pd | 7 Pd | 120.00
5 Pd | 6 Pd | 11 Pd | 89.57
5 Pd | 6 Pd | 16 Pd | 119.52
6 Pd | 17 Pd | 5 Pd | 59.47
7 Pd | 6 Pd | 11 Pd | 60.26
7 Pd | 6 Pd | 16 Pd | 90.12
7 Pd | 6 Pd | 17 Pd | 121.86
6 Pd | 16 Pd | 11 Pd | 60.36
11 Pd | 6 Pd | 17 Pd | 61.61
6 Pd | 16 Pd | 17 Pd | 61.31
7 Pd | 1 Pd | 2 Pd | 60.30
7 Pd | 6 Pd | 1 Pd | 60.28
1 Pd | 7 Pd | 11 Pd | 63.23
1 Pd | 7 Pd | 12 Pd | 94.58
1 Pd | 7 Pd | 19 Pd | 123.11
2 Pd | 7 Pd | 6 Pd | 120.00
2 Pd | 7 Pd | 11 Pd | 89.57
2 Pd | 7 Pd | 12 Pd | 60.26
2 Pd | 7 Pd | 19 Pd | 119.52
7 Pd | 6 Pd | 11 Pd | 60.26
6 Pd | 7 Pd | 12 Pd | 121.86
6 Pd | 7 Pd | 19 Pd | 90.12
11 Pd | 7 Pd | 12 Pd | 61.61
7 Pd | 19 Pd | 11 Pd | 60.36
7 Pd | 19 Pd | 12 Pd | 61.31
8 Pd | 2 Pd | 1 Pd | 63.23
8 Pd | 3 Pd | 1 Pd | 63.23
1 Pd | 8 Pd | 9 Pd | 90.71
8 Pd | 1 Pd | 10 Pd | 56.34
8 Pd | 1 Pd | 11 Pd | 56.34
1 Pd | 8 Pd | 12 Pd | 90.71
1 Pd | 8 Pd | 13 Pd | 118.16
1 Pd | 8 Pd | 14 Pd | 118.16
1 Pd | 8 Pd | 20 Pd | 113.94
1 Pd | 8 Pd | 21 Pd | 147.72
1 Pd | 8 Pd | 22 Pd | 147.72
2 Pd | 8 Pd | 3 Pd | 59.48
2 Pd | 8 Pd | 9 Pd | 119.29
2 Pd | 8 Pd | 10 Pd | 120.24
2 Pd | 8 Pd | 11 Pd | 90.43
8 Pd | 2 Pd | 12 Pd | 61.61
8 Pd | 13 Pd | 2 Pd | 60.36
2 Pd | 8 Pd | 14 Pd | 89.59
2 Pd | 8 Pd | 20 Pd | 147.72
2 Pd | 8 Pd | 21 Pd | 109.49
2 Pd | 8 Pd | 22 Pd | 145.67
8 Pd | 3 Pd | 9 Pd | 61.61
3 Pd | 8 Pd | 10 Pd | 90.43
3 Pd | 8 Pd | 11 Pd | 120.24
3 Pd | 8 Pd | 12 Pd | 119.29
3 Pd | 8 Pd | 13 Pd | 89.59
8 Pd | 14 Pd | 3 Pd | 60.36
3 Pd | 8 Pd | 20 Pd | 147.72
3 Pd | 8 Pd | 21 Pd | 145.67
3 Pd | 8 Pd | 22 Pd | 109.49
8 Pd | 10 Pd | 9 Pd | 61.31
9 Pd | 8 Pd | 11 Pd | 121.31
9 Pd | 8 Pd | 12 Pd | 177.38
9 Pd | 8 Pd | 13 Pd | 118.72
8 Pd | 14 Pd | 9 Pd | 62.47
9 Pd | 8 Pd | 20 Pd | 90.71
9 Pd | 8 Pd | 21 Pd | 119.29
8 Pd | 22 Pd | 9 Pd | 61.61
8 Pd | 10 Pd | 11 Pd | 60.00
10 Pd | 8 Pd | 12 Pd | 121.31
10 Pd | 8 Pd | 13 Pd | 179.97
10 Pd | 8 Pd | 14 Pd | 119.97
8 Pd | 20 Pd | 10 Pd | 56.34
10 Pd | 8 Pd | 21 Pd | 120.24
10 Pd | 8 Pd | 22 Pd | 90.43
8 Pd | 12 Pd | 11 Pd | 57.38
11 Pd | 8 Pd | 13 Pd | 119.97
11 Pd | 8 Pd | 14 Pd | 179.97
8 Pd | 20 Pd | 11 Pd | 56.34
11 Pd | 8 Pd | 21 Pd | 90.43
11 Pd | 8 Pd | 22 Pd | 120.24
8 Pd | 13 Pd | 12 Pd | 62.47
12 Pd | 8 Pd | 14 Pd | 118.72
12 Pd | 8 Pd | 20 Pd | 90.71
8 Pd | 21 Pd | 12 Pd | 61.61
12 Pd | 8 Pd | 22 Pd | 119.29
13 Pd | 8 Pd | 14 Pd | 60.06
13 Pd | 8 Pd | 20 Pd | 118.16
8 Pd | 13 Pd | 21 Pd | 60.36
13 Pd | 8 Pd | 22 Pd | 89.59
14 Pd | 8 Pd | 20 Pd | 118.16
14 Pd | 8 Pd | 21 Pd | 89.59
8 Pd | 14 Pd | 22 Pd | 60.36
8 Pd | 21 Pd | 20 Pd | 63.23
8 Pd | 22 Pd | 20 Pd | 63.23
8 Pd | 21 Pd | 22 Pd | 60.26
9 Pd | 4 Pd | 3 Pd | 60.26
9 Pd | 3 Pd | 8 Pd | 61.61
3 Pd | 9 Pd | 10 Pd | 87.41
9 Pd | 14 Pd | 3 Pd | 61.31
3 Pd | 9 Pd | 18 Pd | 118.81
3 Pd | 9 Pd | 22 Pd | 107.41
3 Pd | 9 Pd | 23 Pd | 142.30
4 Pd | 9 Pd | 8 Pd | 87.41
9 Pd | 4 Pd | 10 Pd | 61.61
4 Pd | 9 Pd | 14 Pd | 118.81
9 Pd | 18 Pd | 4 Pd | 61.31
4 Pd | 9 Pd | 22 Pd | 142.30
4 Pd | 9 Pd | 23 Pd | 107.41
9 Pd | 10 Pd | 8 Pd | 61.31
9 Pd | 14 Pd | 8 Pd | 62.47
8 Pd | 9 Pd | 18 Pd | 116.26
9 Pd | 22 Pd | 8 Pd | 61.61
8 Pd | 9 Pd | 23 Pd | 87.41
10 Pd | 9 Pd | 14 Pd | 116.26
9 Pd | 18 Pd | 10 Pd | 62.47
10 Pd | 9 Pd | 22 Pd | 87.41
9 Pd | 23 Pd | 10 Pd | 61.61
14 Pd | 9 Pd | 18 Pd | 175.13
9 Pd | 14 Pd | 22 Pd | 61.31
14 Pd | 9 Pd | 23 Pd | 118.81
18 Pd | 9 Pd | 22 Pd | 118.81
9 Pd | 18 Pd | 23 Pd | 61.31
9 Pd | 23 Pd | 22 Pd | 60.26
10 Pd | 4 Pd | 1 Pd | 63.23
10 Pd | 5 Pd | 1 Pd | 63.23
10 Pd | 1 Pd | 8 Pd | 56.34
1 Pd | 10 Pd | 9 Pd | 90.71
10 Pd | 1 Pd | 11 Pd | 56.34
1 Pd | 10 Pd | 15 Pd | 118.16
1 Pd | 10 Pd | 17 Pd | 90.71
1 Pd | 10 Pd | 18 Pd | 118.16
1 Pd | 10 Pd | 20 Pd | 113.94
1 Pd | 10 Pd | 23 Pd | 147.72
1 Pd | 10 Pd | 24 Pd | 147.72
10 Pd | 5 Pd | 4 Pd | 60.26
4 Pd | 10 Pd | 8 Pd | 90.43
10 Pd | 4 Pd | 9 Pd | 61.61
4 Pd | 10 Pd | 11 Pd | 120.24
4 Pd | 10 Pd | 15 Pd | 89.59
4 Pd | 10 Pd | 17 Pd | 119.29
10 Pd | 18 Pd | 4 Pd | 60.36
4 Pd | 10 Pd | 20 Pd | 147.72
4 Pd | 10 Pd | 23 Pd | 109.49
4 Pd | 10 Pd | 24 Pd | 145.67
5 Pd | 10 Pd | 8 Pd | 120.24
5 Pd | 10 Pd | 9 Pd | 119.29
5 Pd | 10 Pd | 11 Pd | 90.43
10 Pd | 15 Pd | 5 Pd | 60.36
10 Pd | 5 Pd | 17 Pd | 61.61
5 Pd | 10 Pd | 18 Pd | 89.59
5 Pd | 10 Pd | 20 Pd | 147.72
5 Pd | 10 Pd | 23 Pd | 145.67
5 Pd | 10 Pd | 24 Pd | 109.49
8 Pd | 10 Pd | 9 Pd | 61.31
10 Pd | 8 Pd | 11 Pd | 60.00
8 Pd | 10 Pd | 15 Pd | 179.97
8 Pd | 10 Pd | 17 Pd | 121.31
8 Pd | 10 Pd | 18 Pd | 119.97
10 Pd | 20 Pd | 8 Pd | 56.34
8 Pd | 10 Pd | 23 Pd | 90.43
8 Pd | 10 Pd | 24 Pd | 120.24
9 Pd | 10 Pd | 11 Pd | 121.31
9 Pd | 10 Pd | 15 Pd | 118.72
9 Pd | 10 Pd | 17 Pd | 177.38
10 Pd | 18 Pd | 9 Pd | 62.47
9 Pd | 10 Pd | 20 Pd | 90.71
10 Pd | 23 Pd | 9 Pd | 61.61
9 Pd | 10 Pd | 24 Pd | 119.29
11 Pd | 10 Pd | 15 Pd | 119.97
10 Pd | 17 Pd | 11 Pd | 57.38
11 Pd | 10 Pd | 18 Pd | 179.97
10 Pd | 20 Pd | 11 Pd | 56.34
11 Pd | 10 Pd | 23 Pd | 120.24
11 Pd | 10 Pd | 24 Pd | 90.43
10 Pd | 15 Pd | 17 Pd | 62.47
15 Pd | 10 Pd | 18 Pd | 60.06
15 Pd | 10 Pd | 20 Pd | 118.16
15 Pd | 10 Pd | 23 Pd | 89.59
10 Pd | 15 Pd | 24 Pd | 60.36
17 Pd | 10 Pd | 18 Pd | 118.72
17 Pd | 10 Pd | 20 Pd | 90.71
17 Pd | 10 Pd | 23 Pd | 119.29
10 Pd | 24 Pd | 17 Pd | 61.61
18 Pd | 10 Pd | 20 Pd | 118.16
10 Pd | 18 Pd | 23 Pd | 60.36
18 Pd | 10 Pd | 24 Pd | 89.59
10 Pd | 23 Pd | 20 Pd | 63.23
10 Pd | 24 Pd | 20 Pd | 63.23
23 Pd | 10 Pd | 24 Pd | 59.48
11 Pd | 6 Pd | 1 Pd | 63.23
11 Pd | 7 Pd | 1 Pd | 63.23
11 Pd | 1 Pd | 8 Pd | 56.34
11 Pd | 1 Pd | 10 Pd | 56.34
1 Pd | 11 Pd | 12 Pd | 90.71
1 Pd | 11 Pd | 16 Pd | 118.16
1 Pd | 11 Pd | 17 Pd | 90.71
1 Pd | 11 Pd | 19 Pd | 118.16
1 Pd | 11 Pd | 20 Pd | 113.94
1 Pd | 11 Pd | 25 Pd | 147.72
1 Pd | 11 Pd | 26 Pd | 147.72
11 Pd | 6 Pd | 7 Pd | 60.26
6 Pd | 11 Pd | 8 Pd | 120.24
6 Pd | 11 Pd | 10 Pd | 90.43
6 Pd | 11 Pd | 12 Pd | 119.29
11 Pd | 16 Pd | 6 Pd | 60.36
11 Pd | 6 Pd | 17 Pd | 61.61
6 Pd | 11 Pd | 19 Pd | 89.59
6 Pd | 11 Pd | 20 Pd | 147.72
6 Pd | 11 Pd | 25 Pd | 109.49
6 Pd | 11 Pd | 26 Pd | 145.67
7 Pd | 11 Pd | 8 Pd | 90.43
7 Pd | 11 Pd | 10 Pd | 120.24
11 Pd | 7 Pd | 12 Pd | 61.61
7 Pd | 11 Pd | 16 Pd | 89.59
7 Pd | 11 Pd | 17 Pd | 119.29
11 Pd | 19 Pd | 7 Pd | 60.36
7 Pd | 11 Pd | 20 Pd | 147.72
7 Pd | 11 Pd | 25 Pd | 145.67
7 Pd | 11 Pd | 26 Pd | 109.49
11 Pd | 8 Pd | 10 Pd | 60.00
11 Pd | 12 Pd | 8 Pd | 57.38
8 Pd | 11 Pd | 16 Pd | 179.97
8 Pd | 11 Pd | 17 Pd | 121.31
8 Pd | 11 Pd | 19 Pd | 119.97
11 Pd | 20 Pd | 8 Pd | 56.34
8 Pd | 11 Pd | 25 Pd | 120.24
8 Pd | 11 Pd | 26 Pd | 90.43
10 Pd | 11 Pd | 12 Pd | 121.31
10 Pd | 11 Pd | 16 Pd | 119.97
11 Pd | 17 Pd | 10 Pd | 57.38
10 Pd | 11 Pd | 19 Pd | 179.97
11 Pd | 20 Pd | 10 Pd | 56.34
10 Pd | 11 Pd | 25 Pd | 90.43
10 Pd | 11 Pd | 26 Pd | 120.24
12 Pd | 11 Pd | 16 Pd | 118.72
12 Pd | 11 Pd | 17 Pd | 177.38
11 Pd | 19 Pd | 12 Pd | 62.47
12 Pd | 11 Pd | 20 Pd | 90.71
12 Pd | 11 Pd | 25 Pd | 119.29
11 Pd | 26 Pd | 12 Pd | 61.61
11 Pd | 16 Pd | 17 Pd | 62.47
16 Pd | 11 Pd | 19 Pd | 60.06
16 Pd | 11 Pd | 20 Pd | 118.16
11 Pd | 16 Pd | 25 Pd | 60.36
16 Pd | 11 Pd | 26 Pd | 89.59
17 Pd | 11 Pd | 19 Pd | 118.72
17 Pd | 11 Pd | 20 Pd | 90.71
11 Pd | 25 Pd | 17 Pd | 61.61
17 Pd | 11 Pd | 26 Pd | 119.29
19 Pd | 11 Pd | 20 Pd | 118.16
19 Pd | 11 Pd | 25 Pd | 89.59
11 Pd | 19 Pd | 26 Pd | 60.36
11 Pd | 25 Pd | 20 Pd | 63.23
11 Pd | 26 Pd | 20 Pd | 63.23
11 Pd | 25 Pd | 26 Pd | 60.26
12 Pd | 7 Pd | 2 Pd | 60.26
12 Pd | 2 Pd | 8 Pd | 61.61
2 Pd | 12 Pd | 11 Pd | 87.41
12 Pd | 13 Pd | 2 Pd | 61.31
2 Pd | 12 Pd | 19 Pd | 118.81
2 Pd | 12 Pd | 21 Pd | 107.41
2 Pd | 12 Pd | 26 Pd | 142.30
7 Pd | 12 Pd | 8 Pd | 87.41
12 Pd | 7 Pd | 11 Pd | 61.61
7 Pd | 12 Pd | 13 Pd | 118.81
12 Pd | 19 Pd | 7 Pd | 61.31
7 Pd | 12 Pd | 21 Pd | 142.30
7 Pd | 12 Pd | 26 Pd | 107.41
8 Pd | 12 Pd | 11 Pd | 57.38
12 Pd | 13 Pd | 8 Pd | 62.47
8 Pd | 12 Pd | 19 Pd | 116.26
12 Pd | 21 Pd | 8 Pd | 61.61
8 Pd | 12 Pd | 26 Pd | 87.41
11 Pd | 12 Pd | 13 Pd | 116.26
12 Pd | 19 Pd | 11 Pd | 62.47
11 Pd | 12 Pd | 21 Pd | 87.41
12 Pd | 26 Pd | 11 Pd | 61.61
13 Pd | 12 Pd | 19 Pd | 175.13
12 Pd | 13 Pd | 21 Pd | 61.31
13 Pd | 12 Pd | 26 Pd | 118.81
19 Pd | 12 Pd | 21 Pd | 118.81
12 Pd | 19 Pd | 26 Pd | 61.31
12 Pd | 26 Pd | 21 Pd | 60.26
2 Pd | 13 Pd | 8 Pd | 60.36
2 Pd | 13 Pd | 12 Pd | 61.31
2 Pd | 13 Pd | 14 Pd | 89.88
2 Pd | 13 Pd | 21 Pd | 110.48
8 Pd | 13 Pd | 12 Pd | 62.47
13 Pd | 8 Pd | 14 Pd | 60.06
8 Pd | 13 Pd | 21 Pd | 60.36
12 Pd | 13 Pd | 14 Pd | 122.44
12 Pd | 13 Pd | 21 Pd | 61.31
14 Pd | 13 Pd | 21 Pd | 89.88
3 Pd | 14 Pd | 8 Pd | 60.36
3 Pd | 14 Pd | 9 Pd | 61.31
3 Pd | 14 Pd | 13 Pd | 89.88
3 Pd | 14 Pd | 22 Pd | 110.48
8 Pd | 14 Pd | 9 Pd | 62.47
14 Pd | 8 Pd | 13 Pd | 60.06
8 Pd | 14 Pd | 22 Pd | 60.36
9 Pd | 14 Pd | 13 Pd | 122.44
9 Pd | 14 Pd | 22 Pd | 61.31
13 Pd | 14 Pd | 22 Pd | 89.88
5 Pd | 15 Pd | 10 Pd | 60.36
5 Pd | 15 Pd | 17 Pd | 61.31
5 Pd | 15 Pd | 18 Pd | 89.88
5 Pd | 15 Pd | 24 Pd | 110.48
10 Pd | 15 Pd | 17 Pd | 62.47
15 Pd | 10 Pd | 18 Pd | 60.06
10 Pd | 15 Pd | 24 Pd | 60.36
17 Pd | 15 Pd | 18 Pd | 122.44
17 Pd | 15 Pd | 24 Pd | 61.31
18 Pd | 15 Pd | 24 Pd | 89.88
6 Pd | 16 Pd | 11 Pd | 60.36
6 Pd | 16 Pd | 17 Pd | 61.31
6 Pd | 16 Pd | 19 Pd | 89.88
6 Pd | 16 Pd | 25 Pd | 110.48
11 Pd | 16 Pd | 17 Pd | 62.47
16 Pd | 11 Pd | 19 Pd | 60.06
11 Pd | 16 Pd | 25 Pd | 60.36
17 Pd | 16 Pd | 19 Pd | 122.44
17 Pd | 16 Pd | 25 Pd | 61.31
19 Pd | 16 Pd | 25 Pd | 89.88
5 Pd | 17 Pd | 6 Pd | 59.47
17 Pd | 5 Pd | 10 Pd | 61.61
5 Pd | 17 Pd | 11 Pd | 87.41
17 Pd | 15 Pd | 5 Pd | 61.31
5 Pd | 17 Pd | 16 Pd | 118.81
5 Pd | 17 Pd | 24 Pd | 107.41
5 Pd | 17 Pd | 25 Pd | 142.30
6 Pd | 17 Pd | 10 Pd | 87.41
17 Pd | 6 Pd | 11 Pd | 61.61
6 Pd | 17 Pd | 15 Pd | 118.81
17 Pd | 16 Pd | 6 Pd | 61.31
6 Pd | 17 Pd | 24 Pd | 142.30
6 Pd | 17 Pd | 25 Pd | 107.41
10 Pd | 17 Pd | 11 Pd | 57.38
17 Pd | 15 Pd | 10 Pd | 62.47
10 Pd | 17 Pd | 16 Pd | 116.26
17 Pd | 24 Pd | 10 Pd | 61.61
10 Pd | 17 Pd | 25 Pd | 87.41
11 Pd | 17 Pd | 15 Pd | 116.26
17 Pd | 16 Pd | 11 Pd | 62.47
11 Pd | 17 Pd | 24 Pd | 87.41
17 Pd | 25 Pd | 11 Pd | 61.61
15 Pd | 17 Pd | 16 Pd | 175.13
17 Pd | 15 Pd | 24 Pd | 61.31
15 Pd | 17 Pd | 25 Pd | 118.81
16 Pd | 17 Pd | 24 Pd | 118.81
17 Pd | 16 Pd | 25 Pd | 61.31
24 Pd | 17 Pd | 25 Pd | 59.47
4 Pd | 18 Pd | 9 Pd | 61.31
4 Pd | 18 Pd | 10 Pd | 60.36
4 Pd | 18 Pd | 15 Pd | 89.88
4 Pd | 18 Pd | 23 Pd | 110.48
9 Pd | 18 Pd | 10 Pd | 62.47
9 Pd | 18 Pd | 15 Pd | 122.44
9 Pd | 18 Pd | 23 Pd | 61.31
18 Pd | 10 Pd | 15 Pd | 60.06
10 Pd | 18 Pd | 23 Pd | 60.36
15 Pd | 18 Pd | 23 Pd | 89.88
7 Pd | 19 Pd | 11 Pd | 60.36
7 Pd | 19 Pd | 12 Pd | 61.31
7 Pd | 19 Pd | 16 Pd | 89.88
7 Pd | 19 Pd | 26 Pd | 110.48
11 Pd | 19 Pd | 12 Pd | 62.47
19 Pd | 11 Pd | 16 Pd | 60.06
11 Pd | 19 Pd | 26 Pd | 60.36
12 Pd | 19 Pd | 16 Pd | 122.44
12 Pd | 19 Pd | 26 Pd | 61.31
16 Pd | 19 Pd | 26 Pd | 89.88
8 Pd | 20 Pd | 10 Pd | 56.34
8 Pd | 20 Pd | 11 Pd | 56.34
20 Pd | 21 Pd | 8 Pd | 63.23
20 Pd | 22 Pd | 8 Pd | 63.23
8 Pd | 20 Pd | 23 Pd | 87.11
8 Pd | 20 Pd | 24 Pd | 114.69
8 Pd | 20 Pd | 25 Pd | 114.69
8 Pd | 20 Pd | 26 Pd | 87.11
10 Pd | 20 Pd | 11 Pd | 56.34
10 Pd | 20 Pd | 21 Pd | 114.69
10 Pd | 20 Pd | 22 Pd | 87.11
20 Pd | 23 Pd | 10 Pd | 63.23
20 Pd | 24 Pd | 10 Pd | 63.23
10 Pd | 20 Pd | 25 Pd | 87.11
10 Pd | 20 Pd | 26 Pd | 114.69
11 Pd | 20 Pd | 21 Pd | 87.11
11 Pd | 20 Pd | 22 Pd | 114.69
11 Pd | 20 Pd | 23 Pd | 114.69
11 Pd | 20 Pd | 24 Pd | 87.11
20 Pd | 25 Pd | 11 Pd | 63.23
20 Pd | 26 Pd | 11 Pd | 63.23
20 Pd | 21 Pd | 22 Pd | 60.28
21 Pd | 20 Pd | 23 Pd | 119.61
21 Pd | 20 Pd | 24 Pd | 172.82
21 Pd | 20 Pd | 25 Pd | 119.61
21 Pd | 20 Pd | 26 Pd | 60.30
22 Pd | 20 Pd | 23 Pd | 60.30
22 Pd | 20 Pd | 24 Pd | 119.61
22 Pd | 20 Pd | 25 Pd | 172.82
22 Pd | 20 Pd | 26 Pd | 119.61
23 Pd | 20 Pd | 24 Pd | 59.44
23 Pd | 20 Pd | 25 Pd | 119.61
23 Pd | 20 Pd | 26 Pd | 172.82
24 Pd | 20 Pd | 25 Pd | 60.30
24 Pd | 20 Pd | 26 Pd | 119.61
20 Pd | 25 Pd | 26 Pd | 60.28
8 Pd | 21 Pd | 12 Pd | 61.61
21 Pd | 13 Pd | 8 Pd | 60.36
8 Pd | 21 Pd | 20 Pd | 63.23
8 Pd | 21 Pd | 22 Pd | 60.26
8 Pd | 21 Pd | 26 Pd | 89.57
21 Pd | 13 Pd | 12 Pd | 61.31
12 Pd | 21 Pd | 20 Pd | 94.58
12 Pd | 21 Pd | 22 Pd | 121.86
21 Pd | 26 Pd | 12 Pd | 60.26
13 Pd | 21 Pd | 20 Pd | 123.11
13 Pd | 21 Pd | 22 Pd | 90.12
13 Pd | 21 Pd | 26 Pd | 119.52
20 Pd | 21 Pd | 22 Pd | 60.28
21 Pd | 20 Pd | 26 Pd | 60.30
22 Pd | 21 Pd | 26 Pd | 120.00
8 Pd | 22 Pd | 9 Pd | 61.61
22 Pd | 14 Pd | 8 Pd | 60.36
8 Pd | 22 Pd | 20 Pd | 63.23
22 Pd | 21 Pd | 8 Pd | 60.26
8 Pd | 22 Pd | 23 Pd | 89.57
22 Pd | 14 Pd | 9 Pd | 61.31
9 Pd | 22 Pd | 20 Pd | 94.58
9 Pd | 22 Pd | 21 Pd | 121.86
22 Pd | 23 Pd | 9 Pd | 60.26
14 Pd | 22 Pd | 20 Pd | 123.11
14 Pd | 22 Pd | 21 Pd | 90.12
14 Pd | 22 Pd | 23 Pd | 119.52
22 Pd | 21 Pd | 20 Pd | 60.28
22 Pd | 20 Pd | 23 Pd | 60.30
21 Pd | 22 Pd | 23 Pd | 120.00
9 Pd | 23 Pd | 10 Pd | 61.61
23 Pd | 18 Pd | 9 Pd | 61.31
9 Pd | 23 Pd | 20 Pd | 94.58
9 Pd | 23 Pd | 22 Pd | 60.26
9 Pd | 23 Pd | 24 Pd | 121.86
23 Pd | 18 Pd | 10 Pd | 60.36
10 Pd | 23 Pd | 20 Pd | 63.23
10 Pd | 23 Pd | 22 Pd | 89.57
23 Pd | 10 Pd | 24 Pd | 59.48
18 Pd | 23 Pd | 20 Pd | 123.11
18 Pd | 23 Pd | 22 Pd | 119.52
18 Pd | 23 Pd | 24 Pd | 90.12
23 Pd | 20 Pd | 22 Pd | 60.30
23 Pd | 20 Pd | 24 Pd | 59.44
22 Pd | 23 Pd | 24 Pd | 120.00
24 Pd | 15 Pd | 10 Pd | 60.36
10 Pd | 24 Pd | 17 Pd | 61.61
10 Pd | 24 Pd | 20 Pd | 63.23
24 Pd | 10 Pd | 23 Pd | 59.48
10 Pd | 24 Pd | 25 Pd | 89.57
24 Pd | 15 Pd | 17 Pd | 61.31
15 Pd | 24 Pd | 20 Pd | 123.11
15 Pd | 24 Pd | 23 Pd | 90.12
15 Pd | 24 Pd | 25 Pd | 119.52
17 Pd | 24 Pd | 20 Pd | 94.58
17 Pd | 24 Pd | 23 Pd | 121.86
24 Pd | 17 Pd | 25 Pd | 59.47
24 Pd | 20 Pd | 23 Pd | 59.44
24 Pd | 20 Pd | 25 Pd | 60.30
23 Pd | 24 Pd | 25 Pd | 120.00
25 Pd | 16 Pd | 11 Pd | 60.36
11 Pd | 25 Pd | 17 Pd | 61.61
11 Pd | 25 Pd | 20 Pd | 63.23
11 Pd | 25 Pd | 24 Pd | 89.57
11 Pd | 25 Pd | 26 Pd | 60.26
25 Pd | 16 Pd | 17 Pd | 61.31
16 Pd | 25 Pd | 20 Pd | 123.11
16 Pd | 25 Pd | 24 Pd | 119.52
16 Pd | 25 Pd | 26 Pd | 90.12
17 Pd | 25 Pd | 20 Pd | 94.58
25 Pd | 17 Pd | 24 Pd | 59.47
17 Pd | 25 Pd | 26 Pd | 121.86
25 Pd | 20 Pd | 24 Pd | 60.30
20 Pd | 25 Pd | 26 Pd | 60.28
24 Pd | 25 Pd | 26 Pd | 120.00
11 Pd | 26 Pd | 12 Pd | 61.61
26 Pd | 19 Pd | 11 Pd | 60.36
11 Pd | 26 Pd | 20 Pd | 63.23
11 Pd | 26 Pd | 21 Pd | 89.57
26 Pd | 25 Pd | 11 Pd | 60.26
26 Pd | 19 Pd | 12 Pd | 61.31
12 Pd | 26 Pd | 20 Pd | 94.58
12 Pd | 26 Pd | 21 Pd | 60.26
12 Pd | 26 Pd | 25 Pd | 121.86
19 Pd | 26 Pd | 20 Pd | 123.11
19 Pd | 26 Pd | 21 Pd | 119.52
19 Pd | 26 Pd | 25 Pd | 90.12
26 Pd | 20 Pd | 21 Pd | 60.30
26 Pd | 25 Pd | 20 Pd | 60.28
21 Pd | 26 Pd | 25 Pd | 120.00
------------------------------------------------------------------------------
number of included internuclear angles: 594
==============================================================================



 warning:::::::::::::: from_nwchemrc
NWCHEM_BASIS_LIBRARY set to: </gpfssan1/home/qiqi/nwchem-6.6/data/libraries/>
but file does not exist !
using compiled in library
Basis "ao basis" -> "" (cartesian)
-----
Pd (Palladium)
--------------
Exponent Coefficients
-------------- ---------------------------------------------------------
1 S 2.08123000E+02 0.000727
1 S 2.28525000E+01 -0.040928
1 S 1.42986000E+01 0.192285
1 S 5.48801000E+00 -0.650104
1 S 1.32532000E+00 0.856553
1 S 5.98957000E-01 0.443876
1 S 1.20983000E-01 0.017850

2 S 2.08123000E+02 -0.000189
2 S 2.28525000E+01 0.009818
2 S 1.42986000E+01 -0.052876
2 S 5.48801000E+00 0.203511
2 S 1.32532000E+00 -0.363935
2 S 5.98957000E-01 -0.258219
2 S 1.20983000E-01 0.570432

3 S 2.08123000E+02 0.000800
3 S 2.28525000E+01 -0.041781
3 S 1.42986000E+01 0.159362
3 S 5.48801000E+00 -0.523123
3 S 1.32532000E+00 1.491773
3 S 5.98957000E-01 -0.791696
3 S 1.20983000E-01 -1.517254

4 S 4.34590000E-02 1.000000

5 P 1.40509000E+01 0.037997
5 P 7.13906000E+00 -0.204077
5 P 1.83007000E+00 0.513768
5 P 8.58335000E-01 0.494240
5 P 3.77275000E-01 0.140291
5 P 1.25696000E-01 0.005157

6 P 1.40509000E+01 -0.009313
6 P 7.13906000E+00 0.054671
6 P 1.83007000E+00 -0.166161
6 P 8.58335000E-01 -0.185842
6 P 3.77275000E-01 0.073161
6 P 1.25696000E-01 0.586172

7 P 1.40509000E+01 -0.018603
7 P 7.13906000E+00 0.109865
7 P 1.83007000E+00 -0.366400
7 P 8.58335000E-01 -0.347316
7 P 3.77275000E-01 0.482034
7 P 1.25696000E-01 0.709640

8 P 4.26590000E-02 1.000000

9 D 1.92539000E+01 0.006624
9 D 1.05848000E+01 -0.018411
9 D 2.45619000E+00 0.263396
9 D 1.03529000E+00 0.452448
9 D 4.02008000E-01 0.375833

10 D 1.92539000E+01 -0.007839
10 D 1.05848000E+01 0.021838
10 D 2.45619000E+00 -0.369155
10 D 1.03529000E+00 -0.430959
10 D 4.02008000E-01 0.374965

11 D 1.37057000E-01 1.000000

12 F 1.14840000E+00 1.000000



Summary of "ao basis" -> "" (cartesian)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
Pd user specified 12 44 4s4p3d1f


 warning:::::::::::::: from_nwchemrc
NWCHEM_BASIS_LIBRARY set to: </gpfssan1/home/qiqi/nwchem-6.6/data/libraries/>
but file does not exist !
using compiled in library

**** WARNING Zero Coefficient **** on atom "              Pd"
angular momentum value:-1 standard basis set name: "user specified"
input line that generated warning:
69: 2 1.0000000 0.0000000

Local ECP potential is zero and ignored

ECP "ecp basis" -> "" (cartesian)
-----
Pd (Palladium) Replaces 28 electrons
---------------------------------------
R-exponent Exponent Coefficients
------------ ---------------------------------------------------------
1 U-s 2.00 12.798825 240.262789
1 U-s 2.00 5.800528 34.729961

2 U-p 2.00 11.874697 56.746929
2 U-p 2.00 11.474335 113.444417
2 U-p 2.00 5.515999 9.345639
2 U-p 2.00 5.248043 18.345447

3 U-d 2.00 8.502212 28.595554
3 U-d 2.00 7.983324 43.453921
3 U-d 2.00 3.107628 1.852286
3 U-d 2.00 2.476734 1.406765

4 U-f 2.00 9.679571 -10.987255
4 U-f 2.00 9.691349 -14.626190


NWChem DFT Module
-----------------


Pd26




Summary of "ao basis" -> "ao basis" (cartesian)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
Pd user specified 12 44 4s4p3d1f


     Symmetry analysis of basis
--------------------------

a1' 131
a1" 67
a2' 95
a2" 95
e' 442
e" 314

Rotation of axis
itol2e modified to match energy
convergence criterion.
tol_rho modified to match energy
convergence criterion.

General Information
-------------------
SCF calculation type: DFT
Wavefunction type: closed shell.
No. of atoms  : 26
No. of electrons : 468
Alpha electrons : 234
Beta electrons : 234
Charge  : 0
Spin multiplicity: 1
Use of symmetry is: on ; symmetry adaption is: on
Maximum number of iterations: 30
AO basis - number of functions: 1144
number of shells: 312
Convergence on energy requested: 1.00D-08
Convergence on density requested: 1.00D-05
Convergence on gradient requested: 5.00D-04

XC Information
--------------
PBE0 Method XC Functional
Hartree-Fock (Exact) Exchange 0.250
PerdewBurkeErnzerhof Exchange Functional 0.750
Perdew 1991 LDA Correlation Functional 1.000 local
PerdewBurkeErnz. Correlation Functional 1.000 non-local

Grid Information
----------------
Grid used for XC integration: xfine
Radial quadrature: Mura-Knowles
Angular quadrature: Lebedev.
Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts.
--- ---------- --------- --------- ---------
Pd 1.40 205 21.0 1454
Grid pruning is: on
Number of quadrature shells: 1025
Spatial weights used: Erf1

Convergence Information
-----------------------
Convergence aids based upon iterative change in
total energy or number of iterations.
Levelshifting, if invoked, occurs when the
HOMO/LUMO gap drops below (HL_TOL): 1.00D-02
DIIS, if invoked, will attempt to extrapolate
using up to (NFOCK): 10 stored Fock matrices.

                   Damping( 0%)  Levelshifting(0.5)       DIIS
--------------- ------------------- ---------------
dE on: start ASAP start
dE off: 2 iters 30 iters 30 iters


Screening Tolerance Information
-------------------------------
Density screening/tol_rho: 1.00D-11
AO Gaussian exp screening on grid/accAOfunc: 18
CD Gaussian exp screening on grid/accCDfunc: 20
XC Gaussian exp screening on grid/accXCfunc: 20
Schwarz screening/accCoul: 1.00D-09


WARNING : Found 2 linear dependencies
S eigenvalue threshold: 1.00000E-05
Smallest S eigenvalue : 7.82575E-06
Largest S eigenvalue : 7.82584E-06


!! The overlap matrix has   2 vectors deemed linearly dependent with
eigenvalues:
7.83D-06 7.83D-06


Superposition of Atomic Density Guess
-------------------------------------

Sum of atomic energies: -3799.19177421

Non-variational initial energy
------------------------------

Total energy =   -3298.498843
1-e energy = -32581.441047
2-e energy = 15880.630654
HOMO = -0.470496
LUMO = -0.464597


Symmetry analysis of molecular orbitals - initial
-------------------------------------------------


!! scf_movecs_sym_adapt:  344 vectors were symmetry contaminated

 Symmetry fudging

!! scf_movecs_sym_adapt:    4 vectors were symmetry contaminated

 Numbering of irreducible representations: 

1 a1' 2 a1" 3 a2' 4 a2" 5 e'
6 e"

Orbital symmetries:

1 a1' 2 e' 3 e' 4 a2" 5 a1'
6 e' 7 e' 8 a1' 9 e' 10 e'
11 a2" 12 a1' 13 e" 14 e" 15 e'
16 e' 17 a2' 18 e" 19 e" 20 a1"
21 a1' 22 e' 23 e' 24 e' 25 e'
26 a2' 27 a1' 28 a2" 29 e' 30 e'
31 e" 32 e" 33 e' 34 e' 35 a2'
36 a1' 37 e' 38 e' 39 e" 40 e"
41 e' 42 e' 43 a2" 44 a2' 45 e"
46 e" 47 a1' 48 a2" 49 a1' 50 a2"
51 e' 52 e' 53 a1' 54 e' 55 e'
56 e" 57 e" 58 a2" 59 e" 60 e"
61 e' 62 e' 63 a1" 64 a1' 65 e'
66 e' 67 e" 68 e" 69 a1' 70 e'
71 e' 72 a2' 73 a2" 74 e' 75 e'
76 e" 77 e" 78 e' 79 e' 80 e"
81 e" 82 a1" 83 a2' 84 e' 85 e'
86 a1' 87 e" 88 e" 89 e' 90 e'
91 a2' 92 e' 93 e' 94 a1" 95 a2"
96 a2' 97 e" 98 e" 99 e" 100 e"
101 e' 102 e' 103 a1" 104 a2' 105 a1'
106 e' 107 e' 108 a2" 109 a1' 110 e'
111 e' 112 a1' 113 e" 114 e" 115 a2"
116 e' 117 e' 118 a1' 119 e" 120 e"
121 e' 122 e' 123 a2' 124 a1" 125 e'
126 e' 127 e" 128 e" 129 a1' 130 a1'
131 e" 132 e" 133 a2" 134 e' 135 e'
136 a1' 137 a2" 138 e' 139 e' 140 e"
141 e" 142 e' 143 e' 144 a2" 145 a1"
146 a2" 147 e" 148 e" 149 a1' 150 e'
151 e' 152 a2" 153 e" 154 e" 155 a1'
156 e' 157 e' 158 e' 159 e' 160 e"
161 e" 162 a2' 163 e" 164 e" 165 a1'
166 e' 167 e' 168 e" 169 e" 170 a1"
171 a1' 172 e' 173 e' 174 e' 175 e'
176 e" 177 e" 178 e' 179 e' 180 a2'
181 a2" 182 e" 183 e" 184 a2' 185 e'
186 e' 187 a1" 188 e' 189 e' 190 e"
191 e" 192 a2' 193 a2" 194 e' 195 e'
196 a2' 197 a1' 198 e" 199 e" 200 e'
201 e' 202 e' 203 e' 204 e" 205 e"
206 a1" 207 a2" 208 a2' 209 e' 210 e'
211 a1' 212 e" 213 e" 214 e" 215 e"
216 e' 217 e' 218 a1" 219 a1' 220 a2'
221 a2" 222 e" 223 e" 224 e' 225 e'
226 e" 227 e" 228 a1" 229 e" 230 e"
231 e' 232 e' 233 a2' 234 a1" 235 a1"
236 a2' 237 e' 238 e' 239 e' 240 e'
241 e" 242 e" 243 a1' 244 a1'

Time after variat. SCF: 5012.5
Time prior to 1st pass: 5012.5

Integral file          = ./Pd26.aoints.0
Record size in doubles = 65536 No. of integs per rec = 32766
Max. records in memory = 0 Max. records in file = 36095625
No. of bits per label = 16 No. of bits per value = 64


#quartets = 1.026D+08 #integrals = 1.231D+10 #direct =  0.0% #cached =100.0%


Grid_pts file          = ./Pd26.gridpts.0
Record size in doubles = 12289 No. of grid_pts per rec = 3070
Max. records in memory = 535 Max. recs in file = 192447040

Grid integrated density:     468.001349074620
Requested integration accuracy: 0.10E-07

         The amount of global memory currently available
for DIIS only allows: 3 Fock matrices to be
stored and used in the extrapolation.
------------------------------------------------------------------------
int_1e_oldga0: dupl failed 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
95: task dft energy
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at
http://www.nwchem-sw.org/index.php/NWChem_Documentation


For further details see manual section: 






PS:

Read file <144313.err> for stderr output of this job.

Clicked A Few Times
Threads 4
Posts 16
WARNING: It appears that your OpenFabrics subsystem is configured to only
allow registering part of your physical memory. This can cause MPI jobs to
run with erratic performance, hang, and/or crash.

This may be caused by your OpenFabrics vendor limiting the amount of
physical memory that can be registered. You should investigate the
relevant Linux kernel module parameters that control how much physical
memory can be registered, and increase them to allow registering all
physical memory on your machine.

See this Open MPI FAQ item for more information on these Linux kernel module
parameters:

   http://www.open-mpi.org/faq/?category=openfabrics#ib-locked-pages

 Local host:              c14n08
Registerable memory: 4096 MiB
Total memory: 24194 MiB

Your MPI job will continue, but may be behave poorly and/or hang.


0:int_1e_oldga0: dupl failed:Received an Error in Communication


MPI_ABORT was invoked on rank 0 in communicator MPI COMMUNICATOR 3 DUP FROM 0
with errorcode -1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.


Clicked A Few Times
Threads 4
Posts 16
I am not quite sure if I should add some additional key words to improve it if I only have the user permission. How to improve the condition like that? Thank you very much!

Forum Vet
Threads 9
Posts 1536
Need memory line
Your job is running out of (global) memory.
Please add a memory line to the beginning of your input file, just after the start line.
The following line would work

memory stack 1750 mb heap 100 mb global 2425 mb noverify

More details at
https://github.com/nwchemgit/nwchem/wiki/Memory


Forum >> NWChem's corner >> Running NWChem



Who's here now Members 0 Guests 1 Bots/Crawler 0


AWC's: 2.5.10 MediaWiki - Stand Alone Forum Extension
Forum theme style by: AWC