CCL:G: Link in Gaussian
- From: Orlin Blajiev <blajiev!A!vub.ac.be>
- Subject: CCL:G: Link in Gaussian
- Date: Tue, 26 Sep 2006 14:28:15 +0200
Sent to CCL by: Orlin Blajiev [blajiev^_^vub.ac.be]
Hi,
I will very much appreciate if somebody lets me know what is wrong
with
the input for a multistep work so that I got the given error message.
It
is not memory as both steps work separately.
The input:
%chk=/u/blajiev/gauss/amtd/amtd.chk
#T B3LYP/6-31G* opt=(maxcyc=200) gfprint pop=(full)
XX amtd.pdb
0 1
N 3.157313 2.400971 0.000000
C 1.840648 2.280898 0.000000
N 1.570839 0.875138 0.000000
N -0.345408 -0.822575 0.000000
C -1.732359 -0.842589 0.000000
S -2.197813 -2.520605 0.000000
S 0.000000 0.744727 0.000000
H 3.793522 1.597308 0.000000
H 3.575380 3.321957 0.000000
H -3.532824 -2.309817 0.000000
--Link1--
%chk=/u/blajiev/gauss/amtd/amtd.chk
%mem=200MW
#T B3LYP/6-31G* freq Geom=Check iop(7/33=1)
Freq
The error:
Redundant internal coordinates taken from checkpoint file:
/u/blajiev/gauss/amtd/amtd.chk
End of file in GetChg.
Error termination via Lnk1e in /usr/local/products/g03/exe/l101.exe at
Tue Sep 26 14:01:26 2006.
Job cpu time: 0 days 0 hours 0 minutes 1.9 seconds.
File lengths (MBytes): RWF= 8 Int= 0 D2E= 0 Chk=
7
Scr= 1
--
Orlin Blajiev
Department of Metallurgy, Electrochemistry and Materials Science
Faculty of Applied Science
Vrije Universiteit Brussel
Pleinlaan 2, B-1050 Brussels
Belgium
http://www.vub.ac.be/META/
tel.: 32-(0)2-6293538
fax : 32-(0)2-6293200