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Date: Wed, 27 Jun 2007 09:51:17 -0700 (PDT)
From: kiran boggavarapu <kiran_boggavarapu@yahoo.com>
Subject: [NWCHEM] problem completing ccsd(t) 
To: nwchem-users@emsl.pnl.gov
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Dear users,

I am running mid size ccsd(t) open shell single point
calculation (input attached).  I am getting following
errors.
createfile: ga problem        1 
---
part of my input looks like this
CHARGE -1

GEOMETRY
Al                    -0.977168    2.274889   
1.401926
Al                    -0.977168   -0.374826   
2.276333
Al                    -2.454988    0.371026   
0.000000
Al                    -0.994397   -2.010679   
0.000000
Al                     1.417367   -1.575045   
1.405435
Al                    -0.977168   -0.374826  
-2.276333
Al                     1.417367   -1.575045  
-1.405435
Al                     2.888230    0.334771   
0.000000
Al                     1.400989    2.682705   
0.000000
Al                    -0.977168    2.274889  
-1.401926
Al                     1.412434    1.074916   
2.275468
Al                     1.412434    1.074916  
-2.275468
Al                     0.218799    0.343421   
0.000000
 O                    -1.622841   -3.746959   
0.000000
 O                    -2.942701   -3.599845   
0.000000
END

BASIS
* library "Ahlrichs TZV"
* library "Ahlrichs Polarization"
END

SCF
uhf
triplet
MAXITER 200
END

TCE
CCSD(T)
FREEZE CORE ATOMIC
io ga_eaf
TILESIZE 25
END
 
TASK TCE ENERGY
----
I have used various various IO related options each
one giving different errors.
For example,'io eaf'  gave the following
sf_test failed        3

For IO scheme "I/O scheme : GA/EAF Replicated
Algorithm"
i got this " createfile: ga problem        1"

---
The memory is 4 GB
  Memory Information
            ------------------
          Available GA space size is    4499770158
doubles
          Available MA space size is     281202417
doubles
--
Can anyone help to get this job done.

thanks
Kiran

       
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