Problem in running NWChem.

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This is my input file-
START O
TITLE "Oxygen"
GEOMETRY
O 0 0 0
END
BASIS SPHERICAL
  O LIBRARY AUG-CC-PVDZ
END

DFT
XC becke88
MULT 3
END
TASK DFT

This is the output I get-
Oxygen
------

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



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

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

 No.       Tag          Charge          X              Y              Z
---- ---------------- ---------- -------------- -------------- --------------
1 O 8.0000 0.00000000 0.00000000 0.00000000

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

     O                 15.994910


Effective nuclear repulsion energy (a.u.)       0.0000000000

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


           XYZ format geometry
-------------------
1
geometry
O 0.00000000 0.00000000 0.00000000

                     Basis "ao basis" -> "" (spherical)
-----
O (Oxygen)
----------
Exponent Coefficients
-------------- ---------------------------------------------------------
1 S 1.17200000E+04 0.000710
1 S 1.75900000E+03 0.005470
1 S 4.00800000E+02 0.027837
1 S 1.13700000E+02 0.104800
1 S 3.70300000E+01 0.283062
1 S 1.32700000E+01 0.448719
1 S 5.02500000E+00 0.270952
1 S 1.01300000E+00 0.015458

 2 S  1.17200000E+04 -0.000160
2 S 1.75900000E+03 -0.001263
2 S 4.00800000E+02 -0.006267
2 S 1.13700000E+02 -0.025716
2 S 3.70300000E+01 -0.070924
2 S 1.32700000E+01 -0.165411
2 S 5.02500000E+00 -0.116955
2 S 1.01300000E+00 0.557368

 3 S  3.02300000E-01  1.000000

 4 S  7.89600000E-02  1.000000

 5 P  1.77000000E+01  0.043018
5 P 3.85400000E+00 0.228913
5 P 1.04600000E+00 0.508728

 6 P  2.75300000E-01  1.000000

 7 P  6.85600000E-02  1.000000

 8 D  1.18500000E+00  1.000000

 9 D  3.32000000E-01  1.000000



Summary of "ao basis" -> "" (spherical)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
O AUG-CC-PVDZ 9 23 4s3p2d



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


                                     Oxygen




Summary of "ao basis" -> "ao basis" (spherical)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
O AUG-CC-PVDZ 9 23 4s3p2d


 Caching 1-el integrals 

           General Information
-------------------
SCF calculation type: DFT
Wavefunction type: spin polarized.
No. of atoms  : 1
No. of electrons : 8
Alpha electrons : 5
Beta electrons : 3
Charge  : 0
Spin multiplicity: 3
Use of symmetry is: off; symmetry adaption is: off
Maximum number of iterations: 30
AO basis - number of functions: 23
number of shells: 9
Convergence on energy requested: 1.00D-06
Convergence on density requested: 1.00D-05
Convergence on gradient requested: 5.00D-04

             XC Information
--------------
Becke 1988 Exchange Functional 1.000

            Grid Information
----------------
Grid used for XC integration: medium
Radial quadrature: Mura-Knowles
Angular quadrature: Lebedev.
Tag B.-S. Rad. Rad. Pts. Rad. Cut. Ang. Pts.
--- ---------- --------- --------- ---------
O 0.60 49 6.0 434
Grid pruning is: on
Number of quadrature shells: 49
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


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

Sum of atomic energies:         -74.76681469
from getmem: mem. needed= 189886 , mem. available= 189091
Error no. 1 in getmem memory overflow : call no., amount requested : 85 45960
------------------------------------------------------------------------
texas: nerror called 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
18: TASK DFT
------------------------------------------------------------------------
------------------------------------------------------------------------
An error occured while computing integrals
------------------------------------------------------------------------
For more information see the NWChem manual at http://www.nwchem-sw.org/index.php/NWChem_Documentation


For further details see manual section:                                                                                                                                                                                                                                                                
0:texas: nerror called:Received an Error in Communication


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

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
Edited On 9:15:07 PM PST - Wed, Mar 1st 2017 by Bikash Patra


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