Subject: disk use in G98W

From: "Sergio Emanuel Galembeck" <[email-masked]>
Date: Tue, 16 Nov 1999 11:08:09 -0200

Dear all,

    I am tryng to make some calculations using a G98W in a PentiumII with
128MB RAM and 7.8GB of disk.
When the disk is with only 1.0GB the calculation dies. A extract of the
output is bellow.

      Thanks for your help,

                    Sergio

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*********************************************
 Gaussian 98:  x86-Win32-G98RevA.6 19-Oct-1998
                  14-Nov-1999
 *********************************************
 %chk=c:/sergio/gadre/c1/c1_mp2_opt_fd.chk
 %mem=128MB
 Default route:  MaxDisk=975000000
 ----------------------------------------------------------------------
 #mp2/6-311++g(3df,2pd) pop=(full,nboread,mk) gfprint gfinput guess=rea
 d geom=check scf=tight density=current MaxDisk=975000000
 ----------------------------------------------------------------------
 1/29=2,30=1,38=1/1;
 2//2;
 3/5=4,6=6,7=1416,11=9,24=11,25=1,30=1/1,2,3;
 4/5=1/1;
 5/5=2,32=2/2;
 8/6=4,10=1,23=2,27=975000000/1;
 9/15=1,16=-3,27=975000000/6;
 10/5=1,13=10/2;
 6/7=3,15=8,20=1,22=-1,40=1/1,2,7;
 99/5=1,9=1/99;
.
.
.
.
 Requested convergence on RMS density matrix=1.00D-08 within  64 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 SCF Done:  E(RHF) =  -213.979030655     A.U. after    1 cycles
             Convg  =    0.1808D-09             -V/T =  2.0014
             S**2   =   0.0000
 Range of M.O.s used for correlation:     4   162
 NBasis=   162 NAE=    13 NBE=    13 NFC=     3 NFV=     0
 NROrb=    159 NOA=    10 NOB=    10 NVA=   149 NVB=   149

 **** Warning!!: The largest alpha MO coefficient is  0.12116866D+02

 Disk-based method using ON**2 memory for 10 occupieds at a time.
 Estimated scratch disk usage=   117918072 words.
 Actual    scratch disk usage=   117628576 words.
 JobTyp=1 Pass  1:  I=   4 to  13.
 writwa

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