Subject: g03: openshell freq calc dies

From: "ben sattelle" <bms8^at^leicester.ac.uk>
Date: Sun, 5 Jun 2005 14:37:36 +0100

dear all, 

g03 openshell frequency calculation dies with the following error ...

Do as many integral derivatives as possible in FoFDir.
G2DrvN: MDV=       6291198.
Unable to allocate space to process matrices in G2DrvN:
NAtomX=  32 NBasis= 509 NBas6D= 528 MDV1=   6291198 MinMem=  58765797.
Abort, since this type of calculation must use G2DrvN.
Error termination via Lnk1e in /usr/local/g03/l1110.exe at Sun Jun  5
04:25:28 2005.
Job cpu time:  0 days  7 hours  6 minutes  2.2 seconds.
File lengths (MBytes):  RWF=    450 Int=   0 D2E=    0 Chk=    7 Scr=  1

... the route card reads a follows ...

#p b3lyp/6-311++G** freq int=ultrafine scf=tight gfinput iop(6/7=3)

... i wonder if more dynamic memory (%mem) or hard disk space is
required?

any info gratefully received. ben. bms8(-at-)le.ac.uk