Subject: G98 MP2 Frequency error

From: Brian Salter-Duke <[email-masked]>
Date: Tue, 22 Apr 2003 14:41:28 +0930

Can anyone help in getting around this G98 MP22 Frequency error. It is
before the MP2 energy is evaluated yet the MP2 optimisation went fine. I
have tried raising the memory but it just keeps giving the error.

 SCF Done:  E(RHF) =  -1369.92661795     A.U. after    1 cycles
             Convg  =    0.1521D-08             -V/T =  2.0015
             S**2   =   0.0000
 KE= 1.367893146828D+03 PE=-7.187312373164D+03 EE= 2.464054415544D+03
 Leave Link  502 at Tue Apr 22 14:32:57 2003, MaxMem=    8000000 cpu: 227.9
 (Enter /home/qchem/g98/l801.exe)
 Range of M.O.s used for correlation:    28   387
 NBasis=   387 NAE=    86 NBE=    86 NFC=    27 NFV=     0
 NROrb=    360 NOA=    59 NOB=    59 NVA=   301 NVB=   301
 Leave Link  801 at Tue Apr 22 14:32:57 2003, MaxMem=    8000000 cpu: 0.0
 (Enter /home/qchem/g98/l906.exe)
 Frozen-core derivative calculation, NFC=  27 NFV=   0.
 DE2Beg-1 allocation failure:  iend,mxcore=  19301005   8000000
 Error termination via Lnk1e in /home/qchem/g98/l906.exe.
 Job cpu time:  0 days  0 hours  3 minutes 55.1 seconds.
 File lengths (MBytes):  RWF= 3938 Int=    0 D2E=    0 Chk=   14 Scr= 1

Thanks, Brian.
-- 
"Faith is the great cop-out, the great excuse to evade the need to think 
and evaluate evidence. Faith is belief inspite of, even perhaps because 
of, the lack of evidence." 
                                               -- Richard Dawkins
Brian Salter-Duke (Brian Duke) Email: [email-masked]