Posted by Stefano Vanni on April 21, 2006 at 20:31:08:
Hi,
I'm trying to do an optimization, with SYMMetry, at the RASSCF level.
Everything looks fine until the job gets to the slapaf.exe when it crashes giving me an /rc=97 error.
This is the final part of the output:
...
25H 4.9273380610 0.1272806231 6.0326199511
26H 1.9594532493 -0.4738941829 7.4870646981
Bond_Tester(2): nNeighbor+1.gt.nMax
jAtom= 1
nNeighbor= 20
nMax= 20
grabit: MOLCASMEM is 4800
--- Stop Module: slapaf at Thu Apr 20 22:16:02 CES 2006 /rc= 97 ---
Non-zero return code - check program input/output
--- Stop Module: auto at Thu Apr 20 22:16:02 CES 2006 /rc=97 ---
--- Stop Module: auto at Thu Apr 20 22:16:02 CES 2006 /rc=98 ---
The alaska and seward jobs seems OK and the input was,as usual,
&SLAPAF &END
Iterations
40
End of input
Could you help me?
Stefano