Hi Madam/Sir
I met a problem, when I used NWChem to calculate Mulliken charge.
My input file is as following:
title "tequil 300K vo-2+.xyz + 74 water aimdmm simulation"
start water-v2+-cpmd
memory 2200 mb
permanent_dir /work/alexandrov/zhenjiang/cubic-model-13/V2+/V2+-production-mulliken-charge-2
scratch_dir /work/alexandrov/zhenjiang/cubic-model-13/V2+/V2+-production-mulliken-charge-2
charge 2
GEOMETRY center noautosym noautoz print xyz
SYSTEM crystal
lat_a 13.0
lat_b 13.0
lat_c 13.0
alpha 90.0
beta 90.0
gamma 90.0
END
V -0.267692307692 -0.045038461538 0.161230769231
O 0.108461538462 0.020776923077 0.461538461538
H 0.073230769231 -0.010223076923 0.405230769231
H 0.105384615385 -0.034900000000 -0.490153846154
O 0.479538461538 0.136538461538 0.022784615385
H 0.431769230769 0.078461538462 0.019584615385
H 0.470692307692 0.181692307692 -0.028084615385
O -0.142692307692 0.049361538462 0.220461538462
H -0.150769230769 0.124615384615 0.219384615385
H -0.074269230769 0.031761538462 0.218461538462
O -0.046030769231 0.378230769231 0.063300000000
H -0.073476923077 0.339384615385 0.007276153846
H -0.089230769231 0.434000000000 0.084615384615
O -0.123923076923 -0.212692307692 0.438923076923
H -0.177230769231 -0.200000000000 0.388153846154
H -0.136461538462 -0.163846153846 0.491769230769
O 0.355230769231 0.486307692308 0.418307692308
H 0.326461538462 -0.493230769231 0.357000000000
H 0.430769230769 0.476076923077 0.412538461538
O 0.080769230769 0.082230769231 -0.172692307692
H 0.134615384615 0.045853846154 -0.203384615385
H 0.043161538462 0.118461538462 -0.228846153846
O 0.065238461538 -0.023346153846 0.203615384615
H 0.072892307692 -0.042207692308 0.133384615385
H 0.057107692308 -0.088384615385 0.242461538462
O -0.355461538462 0.025500000000 -0.110846153846
H -0.371769230769 -0.020361538462 -0.165307692308
H -0.411076923077 0.024569230769 -0.062961538462
O -0.222923076923 0.259461538462 0.233230769231
H -0.158538461538 0.265615384615 0.196000000000
H -0.205923076923 0.280153846154 0.305230769231
O 0.155230769231 -0.099846153846 -0.364692307692
H 0.135230769231 -0.166461538462 -0.350307692308
H 0.199923076923 -0.077615384615 -0.311461538462
O -0.115846153846 -0.450307692308 0.149692307692
H -0.078769230769 -0.468076923077 0.211153846154
H -0.187769230769 -0.426615384615 0.167615384615
O -0.439461538462 -0.371615384615 0.314769230769
H -0.437076923077 -0.307769230769 0.354307692308
H 0.488153846154 -0.389769230769 0.309846153846
O 0.370000000000 -0.216615384615 -0.150307692308
H 0.302461538462 -0.242923076923 -0.129153846154
H 0.390076923077 -0.272461538462 -0.198923076923
O -0.319615384615 0.325538461538 -0.430769230769
H -0.247846153846 0.317846153846 -0.446769230769
H -0.316384615385 0.364000000000 -0.364307692308
O -0.164538461538 0.298538461538 0.427307692308
H -0.115615384615 0.246307692308 0.449923076923
H -0.133000000000 0.360769230769 0.400461538462
O 0.371076923077 -0.030576923077 0.031615384615
H 0.405384615385 -0.087230769231 0.002670769231
H 0.304692307692 -0.035223076923 0.003963846154
O 0.308384615385 -0.273769230769 0.134153846154
H 0.263461538462 -0.334538461538 0.156307692308
H 0.341846153846 -0.304153846154 0.070707692308
O -0.354923076923 -0.044300000000 -0.304153846154
H -0.354692307692 0.017884615385 -0.343230769231
H -0.417692307692 -0.082384615385 -0.317846153846
O -0.445615384615 0.144000000000 -0.404461538462
H -0.457692307692 0.126230769231 -0.475692307692
H -0.405307692308 0.207307692308 -0.411384615385
O 0.026807692308 0.178461538462 -0.460153846154
H 0.051176923077 0.115076923077 -0.499846153846
H 0.069800000000 0.224615384615 -0.495538461538
O 0.373153846154 -0.353384615385 -0.446846153846
H 0.429384615385 -0.375615384615 -0.403000000000
H 0.368538461538 -0.414769230769 -0.498846153846
O 0.433846153846 -0.434615384615 -0.021169230769
H 0.440384615385 -0.491000000000 0.027084615385
H 0.461076923077 -0.466461538462 -0.083538461538
O 0.144384615385 -0.139461538462 0.030130769231
H 0.196615384615 -0.183000000000 0.061169230769
H 0.118692307692 -0.171461538462 -0.031638461538
O 0.377692307692 0.271538461538 0.320230769231
H 0.385153846154 0.314230769231 0.379307692308
H 0.398000000000 0.312153846154 0.262923076923
O -0.046523076923 0.218538461538 -0.273461538462
H -0.011346153846 0.220615384615 -0.346384615385
H -0.009707692308 0.283076923077 -0.244538461538
O 0.442076923077 0.126000000000 -0.210461538462
H 0.452230769231 0.131461538462 -0.284923076923
H 0.493846153846 0.078615384615 -0.189153846154
O -0.381538461538 -0.291615384615 -0.010161538462
H -0.449461538462 -0.324307692308 -0.029061538462
H -0.337846153846 -0.301692307692 -0.067915384615
O 0.304461538462 0.303384615385 -0.028846153846
H 0.299846153846 0.329692307692 -0.100076923077
H 0.327769230769 0.232384615385 -0.030553846154
O -0.342153846154 0.406307692308 0.113307692308
H -0.337846153846 0.476000000000 0.145923076923
H -0.294615384615 0.368307692308 0.154846153846
O 0.281000000000 0.214923076923 -0.411923076923
H 0.221923076923 0.163384615385 -0.406538461538
H 0.330000000000 0.175538461538 -0.454307692308
O 0.495692307692 0.439230769231 -0.207153846154
H -0.434923076923 0.429384615385 -0.180230769231
H 0.458076923077 0.376923076923 -0.222461538462
O 0.091923076923 0.462615384615 0.452000000000
H 0.129846153846 0.403076923077 0.431769230769
H 0.075438461538 0.447153846154 -0.477769230769
O 0.151923076923 0.424692307692 0.015207692308
H 0.088538461538 0.403923076923 0.046407692308
H 0.205615384615 0.373230769231 0.017515384615
O -0.160538461538 0.002640000000 0.450076923077
H -0.115846153846 0.053069230769 0.417846153846
H -0.180307692308 0.046146153846 -0.489076923077
O 0.068238461538 0.388769230769 -0.177846153846
H 0.124384615385 0.364307692308 -0.212769230769
H 0.088538461538 0.390846153846 -0.105000000000
O -0.034800000000 -0.290307692308 0.062892307692
H -0.061615384615 -0.348615384615 0.098692307692
H 0.021007692308 -0.251461538462 0.088692307692
O 0.319461538462 0.356615384615 -0.241000000000
H 0.296307692308 0.430307692308 -0.253307692308
H 0.289153846154 0.313846153846 -0.293153846154
O 0.154538461538 0.276307692308 0.370615384615
H 0.113230769231 0.275538461538 0.310153846154
H 0.227076923077 0.281846153846 0.355923076923
O -0.243538461538 0.484769230769 -0.250538461538
H -0.249615384615 0.446153846154 -0.188230769231
H -0.169615384615 0.482923076923 -0.265923076923
O -0.197846153846 -0.196230769231 0.181307692308
H -0.237615384615 -0.257923076923 0.183615384615
H -0.136307692308 -0.214384615385 0.145307692308
O 0.169000000000 -0.343230769231 0.410230769231
H 0.118769230769 -0.387846153846 0.447076923077
H 0.212538461538 -0.321384615385 0.464076923077
O -0.355230769231 0.099076923077 0.152153846154
H -0.406153846154 0.123615384615 0.099692307692
H -0.327769230769 0.160846153846 0.183000000000
O 0.294615384615 0.049176923077 0.250923076923
H 0.300230769231 0.119384615385 0.271000000000
H 0.224153846154 0.039461538462 0.243230769231
O -0.403384615385 -0.116692307692 0.091076923077
H -0.457769230769 -0.133230769231 0.138538461538
H -0.383230769231 -0.185461538462 0.054715384615
O 0.266923076923 -0.018930769231 -0.196307692308
H 0.296923076923 -0.086153846154 -0.185384615385
H 0.328384615385 0.023269230769 -0.202615384615
O -0.223846153846 -0.397692307692 0.475461538462
H -0.213769230769 -0.451000000000 -0.475615384615
H -0.211846153846 -0.333384615385 -0.495230769231
O -0.054153846154 0.495384615385 -0.349307692308
H -0.011661538462 0.467692307692 -0.298461538462
H -0.037653846154 -0.435076923077 -0.360230769231
O -0.267615384615 -0.317923076923 -0.174230769231
H -0.238384615385 -0.278769230769 -0.231692307692
H -0.262923076923 -0.390153846154 -0.193461538462
O -0.018815384615 -0.302461538462 -0.137923076923
H -0.085384615385 -0.314846153846 -0.165692307692
H -0.024361538462 -0.301461538462 -0.065238461538
O 0.057146153846 -0.192000000000 0.307384615385
H 0.104076923077 -0.221923076923 0.350923076923
H -0.009561538462 -0.194538461538 0.338615384615
O -0.201307692308 -0.007846153846 0.009238461538
H -0.253384615385 0.005789230769 -0.046530769231
H -0.150230769231 -0.040376923077 -0.033238461538
O -0.474615384615 0.118000000000 0.346384615385
H -0.434538461538 0.078846153846 0.293153846154
H 0.498000000000 0.182846153846 0.320692307692
O 0.249692307692 -0.452076923077 -0.318692307692
H 0.201923076923 -0.413846153846 -0.273153846154
H 0.282615384615 -0.407076923077 -0.361846153846
O 0.385615384615 0.030930769231 0.468384615385
H 0.315538461538 0.026246153846 0.446307692308
H 0.417615384615 0.053576923077 0.405923076923
O -0.185538461538 -0.174615384615 -0.327000000000
H -0.173230769231 -0.128615384615 -0.270000000000
H -0.246000000000 -0.146307692308 -0.356076923077
O -0.434923076923 0.429076923077 0.431538461538
H -0.398000000000 0.390769230769 0.485384615385
H -0.394076923077 0.484538461538 0.405000000000
O -0.466923076923 -0.179538461538 0.391384615385
H 0.480692307692 -0.150769230769 0.338230769231
H -0.488615384615 -0.174692307692 0.466384615385
O 0.422384615385 -0.133461538462 0.218230769231
H 0.369692307692 -0.188307692308 0.203307692308
H 0.386307692308 -0.066384615385 0.209307692308
O 0.032415384615 -0.295461538462 -0.341923076923
H 0.035907692308 -0.284615384615 -0.270153846154
H -0.010138461538 -0.244307692308 -0.367307692308
O 0.435923076923 0.406461538462 0.113923076923
H -0.490153846154 0.395384615385 0.106000000000
H 0.405923076923 0.363615384615 0.062946153846
O 0.496153846154 -0.355615384615 -0.270769230769
H -0.442923076923 -0.316307692308 -0.246000000000
H -0.482384615385 -0.424000000000 -0.268538461538
O -0.332461538462 -0.035423076923 0.318846153846
H -0.381769230769 -0.079538461538 0.353538461538
H -0.277615384615 -0.015030769231 0.361692307692
O -0.178153846154 0.127000000000 -0.382153846154
H -0.135615384615 0.164384615385 -0.335000000000
H -0.237230769231 0.110076923077 -0.344076923077
O -0.298538461538 -0.375923076923 0.166692307692
H -0.347153846154 -0.372230769231 0.221846153846
H -0.337692307692 -0.366076923077 0.104692307692
O -0.082076923077 0.478615384615 0.344153846154
H -0.019030769231 0.467076923077 0.383384615385
H -0.111384615385 -0.466846153846 0.383153846154
O 0.010892307692 0.238230769231 0.200153846154
H 0.034015384615 0.175769230769 0.164153846154
H 0.001461538462 0.291000000000 0.152538461538
O 0.201615384615 -0.445692307692 0.201307692308
H 0.171307692308 -0.480846153846 0.141846153846
H 0.152153846154 -0.428692307692 0.250230769231
O 0.014615384615 0.086153846154 0.036930769231
H -0.049415384615 0.055323076923 0.020200000000
H 0.044676923077 0.105153846154 -0.029307692308
O 0.484384615385 -0.120846153846 -0.412230769231
H 0.452769230769 -0.062561538462 -0.441076923077
H 0.434923076923 -0.171076923077 -0.398615384615
O -0.054153846154 -0.082692307692 -0.127692307692
H -0.009323076923 -0.034446153846 -0.165538461538
H -0.025130769231 -0.148846153846 -0.138538461538
O 0.199153846154 -0.345076923077 -0.117846153846
H 0.235461538462 -0.379000000000 -0.062923076923
H 0.130153846154 -0.358153846154 -0.113461538462
O -0.138769230769 0.194923076923 -0.103846153846
H -0.164923076923 0.128000000000 -0.084615384615
H -0.105076923077 0.187230769231 -0.169000000000
O -0.298769230769 0.345692307692 -0.116307692308
H -0.308230769231 0.364076923077 -0.040538461538
H -0.248923076923 0.295230769231 -0.109000000000
end
set nwpw:cif_filename water74_vo2+_cmpd
nwpw
lmbfgs
xc pbe96
cutoff 30.0
mult 4
ewald_rcut 3.0
ewald_ncut 9
end
Basis
vanadium library "aug-cc-pVTZ Diffuse"
oxygen library "aug-cc-pVTZ Diffuse"
hydrogen library cc-pvdz
end
DFT
rodft
cgmin
grid xfine
mult 4
mulliken
print "mulliken ao"
end
task dft
The failure showed in the output file is as following:
NWChem DFT Module
-----------------
tequil 300K vo-2+.xyz + 74 water aimdmm simulation
Summary of "ao basis" -> "ao basis" (cartesian)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
vanadium aug-cc-pVTZ Diffuse 5 35 1s1p1d1f1g
oxygen aug-cc-pVTZ Diffuse 4 20 1s1p1d1f
hydrogen cc-pvdz 3 5 2s1p
Caching 1-el integrals
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
2:2:nwdft: Problem with system type:: -1
(rank:2 hostname:c2321.tusker.hcc.unl.edu pid:62094):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
3:3:nwdft: Problem with system type:: -1
(rank:3 hostname:c2321.tusker.hcc.unl.edu pid:62095):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
4:4:nwdft: Problem with system type:: -1
(rank:4 hostname:c2321.tusker.hcc.unl.edu pid:62096):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
5:5:nwdft: Problem with system type:: -1
(rank:5 hostname:c2321.tusker.hcc.unl.edu pid:62097):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
6:6:nwdft: Problem with system type:: -1
(rank:6 hostname:c2321.tusker.hcc.unl.edu pid:62098):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
7:7:nwdft: Problem with system type:: -1
(rank:7 hostname:c2321.tusker.hcc.unl.edu pid:62099):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
8:8:nwdft: Problem with system type:: -1
(rank:8 hostname:c2321.tusker.hcc.unl.edu pid:62100):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
9:9:nwdft: Problem with system type:: -1
(rank:9 hostname:c2321.tusker.hcc.unl.edu pid:62105):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
General Information
-------------------
SCF calculation type: DFT
Wavefunction type: restricted open shell.
No. of atoms : 223
No. of electrons : 761
Alpha electrons : 382
Beta electrons : 379
Charge : 2
Spin multiplicity: 4
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
1:1:nwdft: Problem with system type:: -1
(rank:1 hostname:c2321.tusker.hcc.unl.edu pid:62093):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
Use of symmetry is: off; symmetry adaption is: off
Maximum number of iterations: 30
AO basis - number of functions: 2255
number of shells: 745
Convergence on energy requested: 1.00D-06
Convergence on density requested: 1.00D-05
Convergence on gradient requested: 5.00D-04
XC Information
--------------
Slater Exchange Functional 1.000 local
VWN V Correlation Functional 1.000 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.
--- ---------- --------- --------- ---------
V 1.35 160 29.0 1454
O 0.60 100 40.0 1454
H 0.35 100 38.0 1202
Grid pruning is: on
Number of quadrature shells: 22360
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-10
AO Gaussian exp screening on grid/accAOfunc: 14
CD Gaussian exp screening on grid/accCDfunc: 20
XC Gaussian exp screening on grid/accXCfunc: 20
Schwarz screening/accCoul: 1.00D-08
------------------------------------------------------------------------
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
272: task dft
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
0:0:nwdft: Problem with system type:: -1
(rank:0 hostname:c2321.tusker.hcc.unl.edu pid:62092):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
MPI_ABORT was invoked on rank 1 in communicator MPI COMMUNICATOR 4 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.
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
32:32:nwdft: Problem with system type:: -1
(rank:32 hostname:c2517.tusker.hcc.unl.edu pid:6546):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
48:48:nwdft: Problem with system type:: -1
(rank:48 hostname:c2517.tusker.hcc.unl.edu pid:6578):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
49:49:nwdft: Problem with system type:: -1
(rank:49 hostname:c2517.tusker.hcc.unl.edu pid:6580):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
50:50:nwdft: Problem with system type:: -1
(rank:50 hostname:c2517.tusker.hcc.unl.edu pid:6582):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
52:52:nwdft: Problem with system type:: -1
(rank:52 hostname:c2517.tusker.hcc.unl.edu pid:6586):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
55:55:nwdft: Problem with system type:: -1
(rank:55 hostname:c2517.tusker.hcc.unl.edu pid:6592):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
58:58:nwdft: Problem with system type:: -1
(rank:58 hostname:c2517.tusker.hcc.unl.edu pid:6598):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
59:59:nwdft: Problem with system type:: -1
(rank:59 hostname:c2517.tusker.hcc.unl.edu pid:6600):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
60:60:nwdft: Problem with system type:: -1
(rank:60 hostname:c2517.tusker.hcc.unl.edu pid:6602):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
61:61:nwdft: Problem with system type:: -1
(rank:61 hostname:c2517.tusker.hcc.unl.edu pid:6604):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
62:62:nwdft: Problem with system type:: -1
(rank:62 hostname:c2517.tusker.hcc.unl.edu pid:6606):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
63:63:nwdft: Problem with system type:: -1
(rank:63 hostname:c2517.tusker.hcc.unl.edu pid:6608):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
10:10:nwdft: Problem with system type:: -1
(rank:10 hostname:c2517.tusker.hcc.unl.edu pid:6507):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
11:11:nwdft: Problem with system type:: -1
(rank:11 hostname:c2517.tusker.hcc.unl.edu pid:6508):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
13:13:nwdft: Problem with system type:: -1
(rank:13 hostname:c2517.tusker.hcc.unl.edu pid:6510):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
16:16:nwdft: Problem with system type:: -1
(rank:16 hostname:c2517.tusker.hcc.unl.edu pid:6514):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
17:17:nwdft: Problem with system type:: -1
(rank:17 hostname:c2517.tusker.hcc.unl.edu pid:6516):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
18:18:nwdft: Problem with system type:: -1
(rank:18 hostname:c2517.tusker.hcc.unl.edu pid:6518):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
19:19:nwdft: Problem with system type:: -1
(rank:19 hostname:c2517.tusker.hcc.unl.edu pid:6520):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
20:20:nwdft: Problem with system type:: -1
(rank:20 hostname:c2517.tusker.hcc.unl.edu pid:6522):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
21:21:nwdft: Problem with system type:: -1
(rank:21 hostname:c2517.tusker.hcc.unl.edu pid:6524):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
22:22:nwdft: Problem with system type:: -1
(rank:22 hostname:c2517.tusker.hcc.unl.edu pid:6525):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
23:23:nwdft: Problem with system type:: -1
(rank:23 hostname:c2517.tusker.hcc.unl.edu pid:6528):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
24:24:nwdft: Problem with system type:: -1
(rank:24 hostname:c2517.tusker.hcc.unl.edu pid:6530):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
25:25:nwdft: Problem with system type:: -1
(rank:25 hostname:c2517.tusker.hcc.unl.edu pid:6532):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
26:26:nwdft: Problem with system type:: -1
(rank:26 hostname:c2517.tusker.hcc.unl.edu pid:6534):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
27:27:nwdft: Problem with system type:: -1
(rank:27 hostname:c2517.tusker.hcc.unl.edu pid:6536):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
28:28:nwdft: Problem with system type:: -1
(rank:28 hostname:c2517.tusker.hcc.unl.edu pid:6538):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
29:29:nwdft: Problem with system type:: -1
(rank:29 hostname:c2517.tusker.hcc.unl.edu pid:6540):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
30:30:nwdft: Problem with system type:: -1
(rank:30 hostname:c2517.tusker.hcc.unl.edu pid:6542):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
31:31:nwdft: Problem with system type:: -1
(rank:31 hostname:c2517.tusker.hcc.unl.edu pid:6544):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
33:33:nwdft: Problem with system type:: -1
(rank:33 hostname:c2517.tusker.hcc.unl.edu pid:6548):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
34:34:nwdft: Problem with system type:: -1
(rank:34 hostname:c2517.tusker.hcc.unl.edu pid:6550):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
35:35:nwdft: Problem with system type:: -1
(rank:35 hostname:c2517.tusker.hcc.unl.edu pid:6552):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
36:36:nwdft: Problem with system type:: -1
(rank:36 hostname:c2517.tusker.hcc.unl.edu pid:6554):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
37:37:nwdft: Problem with system type:: -1
(rank:37 hostname:c2517.tusker.hcc.unl.edu pid:6556):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
38:38:nwdft: Problem with system type:: -1
(rank:38 hostname:c2517.tusker.hcc.unl.edu pid:6557):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
39:39:nwdft: Problem with system type:: -1
(rank:39 hostname:c2517.tusker.hcc.unl.edu pid:6560):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
40:40:nwdft: Problem with system type:: -1
(rank:40 hostname:c2517.tusker.hcc.unl.edu pid:6562):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
41:41:nwdft: Problem with system type:: -1
(rank:41 hostname:c2517.tusker.hcc.unl.edu pid:6564):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
42:42:nwdft: Problem with system type:: -1
(rank:42 hostname:c2517.tusker.hcc.unl.edu pid:6566):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
43:43:nwdft: Problem with system type:: -1
(rank:43 hostname:c2517.tusker.hcc.unl.edu pid:6568):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
44:44:nwdft: Problem with system type:: -1
(rank:44 hostname:c2517.tusker.hcc.unl.edu pid:6570):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
45:45:nwdft: Problem with system type:: -1
(rank:45 hostname:c2517.tusker.hcc.unl.edu pid:6572):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
46:46:nwdft: Problem with system type:: -1
(rank:46 hostname:c2517.tusker.hcc.unl.edu pid:6574):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
47:47:nwdft: Problem with system type:: -1
(rank:47 hostname:c2517.tusker.hcc.unl.edu pid:6576):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
51:51:nwdft: Problem with system type:: -1
(rank:51 hostname:c2517.tusker.hcc.unl.edu pid:6584):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
53:53:nwdft: Problem with system type:: -1
(rank:53 hostname:c2517.tusker.hcc.unl.edu pid:6588):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
56:56:nwdft: Problem with system type:: -1
(rank:56 hostname:c2517.tusker.hcc.unl.edu pid:6594):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
57:57:nwdft: Problem with system type:: -1
(rank:57 hostname:c2517.tusker.hcc.unl.edu pid:6596):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
12:12:nwdft: Problem with system type:: -1
(rank:12 hostname:c2517.tusker.hcc.unl.edu pid:6509):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
14:14:nwdft: Problem with system type:: -1
(rank:14 hostname:c2517.tusker.hcc.unl.edu pid:6511):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
15:15:nwdft: Problem with system type:: -1
(rank:15 hostname:c2517.tusker.hcc.unl.edu pid:6512):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
nwdft: Problem with system type 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
http://nwchemgit.github.io/index.php/NWChem_Documentation
For further details see manual section:
54:54:nwdft: Problem with system type:: -1
(rank:54 hostname:c2517.tusker.hcc.unl.edu pid:6589):ARMCI DASSERT fail. ../../ga-5-3/armci/src/common/armci.c:ARMCI_Error():208 cond:0
I don't know how to do. Thanks to anyone who can give guidance or help.
Best wishes,
Zhen Jiang
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