From NWChem
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| 6:43:06 PM PST - Tue, Dec 23rd 2014 |
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Still problem...
[kmh603@jarvis ~/nwchem]$ ~/programs/Nwchem-6.5/bin/LINUX64/nwchem simple.nw
argument 1 = simple.nw
======================== echo of input deck ========================
start simple
echo
geometry noautosym units angstrom
O -0.702196054 -0.056060256 0.009942262
H -1.022193224 0.846775782 -0.011488714
H 0.257521062 0.042121496 0.005218999
O 2.220871067 0.026716792 0.000620476
H 2.597492682 -0.411663274 0.766744858
H 2.593135384 -0.449496183 -0.744782026
end
memory 1000 mb
charge 0
BASIS SPHERICAL
O library aug-cc-pvqz
H library aug-cc-pvqz
end
DFT
XC XPBE96 CPBE96
END
TASK DFT energy
====================================================================
could not open a file in scratch directory:
------------------------------------------------------------------------
Fatal Error: scratch directory not accessible 911
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0: TASK DFT energy
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at http://www.nwchem-sw.org/index.php/NWChem_Documentation
For further details see manual section:
0:Fatal Error: scratch directory not accessible:Received an Error in Communication
application called MPI_Abort(comm=0x84000000, 911) - process 0
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