From nieder-!at!-rs3.thch.uni-bonn.de Mon Nov 18 06:38:31 1996 Received: from IBM.rhrz.uni-bonn.de for nieder-: at :-rs3.thch.uni-bonn.de by www.ccl.net (8.8.2/950822.1) id GAA08424; Mon, 18 Nov 1996 06:38:05 -0500 (EST) Received: from rs3.thch.uni-bonn.de by IBM.rhrz.uni-bonn.de (IBM VM SMTP V2R2) with TCP; Mon, 18 Nov 96 12:38:05 MEZ Received: by rs3.thch.uni-bonn.de (AIX 3.2/UCB 5.64/4.03) id AA21783; Mon, 18 Nov 1996 12:37:59 +0100 From: nieder -A_T- rs3.thch.uni-bonn.de (Christoph Niederalt) Message-Id: <9611181137.AA21783 %-% at %-% rs3.thch.uni-bonn.de> Subject: G94:disc space exceeded during AO/MO transformation To: chemistry -8 at 8- www.ccl.net Date: Mon, 18 Nov 96 12:37:58 MEZ X-Mailer: ELM [version 2.3 PL2] Dear Netters, I'm having a problem with Gaussian94 attempting to run a CIS single point calculation. Using 238 basis functions, the 2GB disc space is exceeded during the transformation of the AO integrals to the MO basis in link l804. The output ends with the message: Semi-Direct transformation. ModeAB= 4 MOrb= 24 LenV= 2893898 LASXX= 31075194 LTotXX= 31075194 LenRXX= 62877810 LTotAB= 31802616 MaxLAS= 40782816 LenRXY= 0 NonZer= 93953004 LenScr= 143823404 LnRSAI= 40782816 LnScr1= 64068122 MaxDsk= -1 Total= 311552152 SrtSym= T File extend in NtrExt1 failed. File extend in NtrExt1 failed If I try the keyword "transformation=fulldirect", I have not enough memory. With the keyword "cis=direct" the transformation is avoided and everything works fine but I need the MO's !!! Can anyone suggest a trick to complete the transformation? Thank you very much for any help, Christoph Niederalt nieder.,at,.rs3.thch.uni-bonn.de