Subject: basisset retrieval in g98

From: sergiusz kwasniewski <[email-masked]>
Date: Mon, 8 May 2000 11:36:05 +0200 (MET DST)

Hi,

I've ran into a problem which I don't believe I've had with the previous version
of g98 .. since I've installed A.7 on the alpha UNIX server, I can't seem to
retrieve the final basisset from the checkpoint file .. did someone else
encounter this problem ?

g98 removes all temporary files from scratch except the name.chk file that
you've stated in the input. you insert the same checkpoint file in a new
input file to retrieve both the geometry and basisset using : 

$rungauss
chk=/scratch/name.chk
mem=12000000
#n MP2 guess=read geom=checkpoint GFINPUT ChkBasis

name

0 1

<<<<

seems that it does not find the original checkpoint file or the data in it.

 No Z-matrix found on checkpoint file.
 Cartesian coordinates read from the checkpoint file:
 /scratch/skwasnie/Gau-21150.chk
 FileIO operation on non-existent file.
FileIO: IOper= 2 IFilNo(1)=-20997 Len=      140008 IPos=           0 Q=    43980
02523400
<<<<<

the checkpoint file mentioned (21150) is a new one started from current input
file rather than the one from the previous job.

is there something I've missed ? I would appreciate any kind of help ..

Serge

___________________________________________________

	Sergiusz Kwasniewski
	LUC SBG/TS
	Universitaire Campus Gebouw D
	3590 Diepenbeek
	BELGIUM

	tel(direct): 032 (0)11/268315
	fax	   : 032 (0)11/268301
	email      : [email-masked]
	http://www.luc.ac.be/Research/TheoChem
___________________________________________________