the last part of the output file was
Vector 70 Occ=0.000000D+00 E= 5.006359D-01
MO Center= -4.3D-02, -7.3D-02, -6.7D-02, r^2= 6.3D+00
Bfn. Coefficient Atom+Function Bfn. Coefficient Atom+Function
----- ------------ --------------- ----- ------------ ---------------
72 2.851236 8 C pz 45 -2.846200 5 C pz
9 2.156653 1 C pz 99 -2.044452 11 C pz
78 1.304510 9 F s 60 -1.226695 7 F s
51 1.141383 6 F s 87 -1.088321 10 F s
33 -0.964228 4 F s 123 0.878069 14 F s
center of mass
--------------
x = 0.00012660 y = 0.00044473 z = -0.00006162
moments of inertia (a.u.)
------------------
2869.090846991289 0.000000000000 0.000000000000
0.000000000000 1003.688641838165 0.000000000000
0.000000000000 0.000000000000 3032.993011281565
Multipole analysis of the density
---------------------------------
L x y z total alpha beta nuclear
- - - - ----- ----- ---- -------
0 0 0 0 0.000000 -57.000000 -57.000000 114.000000
1 1 0 0 -0.084907 -0.042454 -0.042454 0.000000
1 0 1 0 -0.351351 -0.175675 -0.175675 0.000000
1 0 0 1 0.012910 0.006455 0.006455 0.000000
2 2 0 0 -53.452500 -165.322647 -165.322647 277.192793
2 1 1 0 0.056723 0.147616 0.147616 -0.238509
2 1 0 1 -0.024589 -0.010237 -0.010237 -0.004114
2 0 2 0 -51.310410 -610.193452 -610.193452 1169.076493
2 0 1 1 0.061432 0.018915 0.018915 0.023601
2 0 0 2 -53.701315 -126.307508 -126.307508 198.913702
Parallel integral file used 486 records with 0 large values
NWChem DFT Gradient Module
--------------------------
charge = 0.00
wavefunction = closed shell
DFT ENERGY GRADIENTS
atom coordinates gradient
x y z x y z
1 C -0.184933 -3.641177 -0.007854 NaN NaN NaN
2 F 1.191757 -4.935275 -0.003652 NaN NaN NaN
3 F -1.245223 -3.833777 -1.560659 NaN NaN NaN
4 F -1.258895 -3.840219 1.533893 NaN NaN NaN
5 C 0.976971 -1.055687 0.002662 NaN NaN NaN
6 F 2.159622 -0.823450 1.722197 NaN NaN NaN
7 F 2.210866 -0.776727 -1.674235 NaN NaN NaN
8 C -0.999238 0.975975 0.018522 NaN NaN NaN
9 F -2.203689 0.799087 -1.694188 NaN NaN NaN
10 F -2.241745 0.806516 1.702866 NaN NaN NaN
11 C 0.161933 3.561878 0.008702 NaN NaN NaN
12 F 1.365243 3.784260 -1.697389 NaN NaN NaN
13 F -1.315978 5.052900 -0.043701 NaN NaN NaN
14 F 1.368219 3.872693 1.700179 NaN NaN NaN
----------------------------------------
| Time | 1-e(secs) | 2-e(secs) |
----------------------------------------
| CPU | 0.54 | 3.42 |
----------------------------------------
| WALL | 0.54 | 3.44 |
----------------------------------------
@ Step Energy Delta E Gmax Grms Xrms Xmax Walltime
@ ---- ---------------- -------- -------- -------- -------- -------- --------
@ 0 -1148.89005492 0.0D+00 NaN NaN 0.00000 0.00000 307.0
ok ok
NWChem DFT Module
-----------------
Caching 1-el integrals
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
util_jacobi: ierr 1
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
1:1:util_jacobi: ierr:: 1
(rank:1 hostname:teal31 pid:5400):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
2:2:util_jacobi: ierr:: 1
(rank:2 hostname:teal31 pid:5401):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
3:3:util_jacobi: ierr:: 1
(rank:3 hostname:teal31 pid:5402):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
4:4:util_jacobi: ierr:: 1
(rank:4 hostname:teal31 pid:5403):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
5:5:util_jacobi: ierr:: 1
(rank:5 hostname:teal31 pid:5404):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
6:6:util_jacobi: ierr:: 1
(rank:6 hostname:teal31 pid:5405):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
7:7:util_jacobi: ierr:: 1
(rank:7 hostname:teal31 pid:5406):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
util_jacobi: ierr 1
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
31: task dft optimize
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
0:0:util_jacobi: ierr:: 1
(rank:0 hostname:teal31 pid:5399):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
util_jacobi: ierr 1
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
84:84:util_jacobi: ierr:: 1
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
58:58:util_jacobi: ierr:: 1
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
85:85:util_jacobi: ierr:: 1
(rank:85 hostname:teal183 pid:21113):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
57:57:util_jacobi: ierr:: 1
(rank:57 hostname:teal147 pid:18826):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
(rank:58 hostname:teal147 pid:18827):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
28:28:util_jacobi: ierr:: 1
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
69:69:util_jacobi: ierr:: 1
(rank:69 hostname:teal161 pid:13930):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
83:83:util_jacobi: ierr:: 1
(rank:83 hostname:teal183 pid:21111):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
This error has not yet been assigned to a category
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
71:71:util_jacobi: ierr:: 1
(rank:71 hostname:teal161 pid:13932):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
10:10:util_jacobi: ierr:: 1
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
(rank:84 hostname:teal183 pid:21112):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
current input line :
0:
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
util_jacobi: ierr 1
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
util_jacobi: ierr 1
------------------------------------------------------------------------
For further details see manual section:
No section for this category
(rank:28 hostname:teal30 pid:32361):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
9:9:util_jacobi: ierr:: 1
(rank:9 hostname:teal40 pid:19397):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
50:50:util_jacobi: ierr:: 1
(rank:50 hostname:teal171 pid:3412):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
20:20:util_jacobi: ierr:: 1
(rank:20 hostname:teal53 pid:12626):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
44:44:util_jacobi: ierr:: 1
(rank:44 hostname:teal127 pid:26425):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
25:25:util_jacobi: ierr:: 1
(rank:25 hostname:teal30 pid:32358):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
66:66:util_jacobi: ierr:: 1
(rank:66 hostname:teal161 pid:13927):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
12:12:util_jacobi: ierr:: 1
(rank:12 hostname:teal40 pid:19400):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
52:52:util_jacobi: ierr:: 1
(rank:52 hostname:teal171 pid:3414):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
72:72:util_jacobi: ierr:: 1
(rank:72 hostname:teal134 pid:1363):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
41:41:util_jacobi: ierr:: 1
(rank:41 hostname:teal127 pid:26422):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
(rank:10 hostname:teal40 pid:19398):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
53:53:util_jacobi: ierr:: 1
(rank:53 hostname:teal171 pid:3415):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
22:22:util_jacobi: ierr:: 1
(rank:22 hostname:teal53 pid:12628):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
73:73:util_jacobi: ierr:: 1
(rank:73 hostname:teal134 pid:1364):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
63:63:util_jacobi: ierr:: 1
(rank:63 hostname:teal147 pid:18832):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
For further details see manual section:
No section for this category
42:42:util_jacobi: ierr:: 1
(rank:42 hostname:teal127 pid:26423):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
48:48:util_jacobi: ierr:: 1
(rank:48 hostname:teal171 pid:3410):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
21:21:util_jacobi: ierr:: 1
(rank:21 hostname:teal53 pid:12627):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
74:74:util_jacobi: ierr:: 1
(rank:74 hostname:teal134 pid:1365):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
56:56:util_jacobi: ierr:: 1
For further details see manual section:
No section for this category
45:45:util_jacobi: ierr:: 1
(rank:45 hostname:teal127 pid:26426):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
For further details see manual section:
No section for this category
49:49:util_jacobi: ierr:: 1
(rank:49 hostname:teal171 pid:3411):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
75:75:util_jacobi: ierr:: 1
(rank:75 hostname:teal134 pid:1366):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
47:47:util_jacobi: ierr:: 1
(rank:47 hostname:teal127 pid:26428):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
24:24:util_jacobi: ierr:: 1
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
For further details see manual section:
No section for this category
79:79:util_jacobi: ierr:: 1
(rank:79 hostname:teal134 pid:1370):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
(rank:56 hostname:teal147 pid:18825):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
http://nwchemgit.github.io/index.php/NWChem_Documentation
------------------------------------------------------------------------
54:54:util_jacobi: ierr:: 1
(rank:54 hostname:teal171 pid:3416):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
No section for this category
------------------------------------------------------------------------
(rank:24 hostname:teal30 pid:32357):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
36:36:util_jacobi: ierr:: 1
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
current input line :
For further details see manual section:
No section for this category
76:76:util_jacobi: ierr:: 1
(rank:76 hostname:teal134 pid:1367):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
------------------------------------------------------------------------
For further details see manual section:
No section for this category
68:68:util_jacobi: ierr:: 1
current input line :
------------------------------------------------------------------------
current input line :
0:
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
For further details see manual section:
0:
87:87:util_jacobi: ierr:: 1
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
No section for this category
For further details see manual section:
No section for this category
------------------------------------------------------------------------
0:
------------------------------------------------------------------------
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
util_jacobi: ierr 1
------------------------------------------------------------------------
0:
35:35:util_jacobi: ierr:: 1
(rank:35 hostname:teal36 pid:464):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
(rank:68 hostname:teal161 pid:13929):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
No section for this category
This error has not yet been assigned to a category
This error has not yet been assigned to a category
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
32:32:util_jacobi: ierr:: 1
(rank:32 hostname:teal36 pid:460):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
No section for this category
This error has not yet been assigned to a category
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
(rank:87 hostname:teal183 pid:21115):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
This error has not yet been assigned to a category
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
------------------------------------------------------------------------
(rank:36 hostname:teal36 pid:465):ARMCI DASSERT fail. armci.c:ARMCI_Error():260 cond:0
------------------------------------------------------------------------
util_jacobi: ierr 1
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
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