Subject: G98: memory fault

From: "Nicolas Ferre'" <[email-masked]>
Date: Tue, 17 Dec 2002 11:15:46 +0100

Hi ccl,

I try to perform a CASSCF(12,11) frequency calculation using a very
large amount of memory (%MEM=37000MB) but when the CAS calculation
starts, while integrals are kept in core, it fails with:

   First order MCSCF. Prepare for Direct CPMCSCF
GetSCM:  Allocation for  REFSC failed:
Core=4597204656 Need=411151178 GauSpace=4597204656 MaxMem=554696704 
Avail=554696704.
  Error termination via Lnk1e in /cineca/prod/g98a11/g98/l510.exe.

What looks strange is that MaxMem is set to 554696704 words, that is
about 4.5 Gb, while the %MEM set it to a much larger value. What
happened ? Is there an upper limit to the memory usable with g98A11 ?
Thanks for any help.

-- 
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Nicolas FERRE' (PhD)
				 phone/fax : +39-0577-234278
Dipartimento di Chimica
Universita` di Siena             mailto:[email-masked]
via Aldo Moro
53100 SIENA (Italia)             http://ccmaol1.chim.unisi.it/
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