Subject: Gaussian freq calculation error

From: "Ding Xunlei" <dxl >< ustc.edu.cn>
Date: Thu, 30 Jun 2005 10:05:25 +0800

Dear Sir/Madam#:

I did a Gaussian calculation and error occured as below.
I know that this error may happen when read a non-exist chk file, or rwf is out of range.
But in my work, the head of the input file is:
-------------------
%mem=800mb
%nproc=6
%rwf=a,1gb,b,1gb,c,1gb,d,1gb,e,1gb,f,1gb,g,1gb
#  cis(root=1,nstate=1,direct)/6-311+g(d,p)  freq  Punch=Derivatives
-------------------
And in the output files, only a.rwf and b.rwf were written.
Then what's wrong with my calculation? 

!!!! AX will form  96 AO Fock derivatives at one time.
    96 vectors were produced by pass  1.
    96 vectors were produced by pass  2.
    96 vectors were produced by pass  3.
    96 vectors were produced by pass  4.
    96 vectors were produced by pass  5.
    96 vectors were produced by pass  6.
    62 vectors were produced by pass  7.
     3 vectors were produced by pass  8.
     3 vectors were produced by pass  9.
 Inv2:  IOpt= 1 Iter= 1 AM= 5.89D-15 Conv= 1.00D-12.
 Inverted reduced A of dimension  740 with in-core refinement.
 End of Minotr Frequency-dependent properties file   721 does not exist.
 Doing CIS second derivatives.
 This link is doing    99 degrees of freedom
 Form MO integral derivatives with frozen-active canonical formalism.
 CisSec: MDV=     104857342
 Frozen orbitals handled with amplitudes over full window.
 CISAX will form  50 AO SS matrices at one time.
 Operation on file out of range.
FileIO: IOper= 1 IFilNo(1)=-19990 Len=           0 IPos=     1318400 Q=*****************

 dumping /fiocom/, unit = 1 NFiles =   120 SizExt =    524288 WInBlk =      1024
                   defal = T LstWrd =   255081472 FType=2 FMxFil=10000

 Number           0          0          0          0          0          0          0          0
 Base     145439136   14106081    3687424    5516288    1356800    3748864    5299270   16762470
 End      145439744   14106624    3689472    5533696    1357824    3773440    5300224   17079296
 End1     145439744   14106624    3689472    5533696    1357824    3773440    5300224   17079296
 Wr Pntr  145439136   14106081    3687424    5474304    1356800    3695616    5299270   16762470
 Rd Pntr  145439136   14106081    3687424    5474304    1356800    3695616    5299270   16762470
 Length         608        543       2048      17408       1024      24576        954     316826

....................

 dumping /fiocom/, unit = 3 NFiles =     1 SizExt =    524288 WInBlk =      1024
                   defal = T LstWrd =       66560 FType=2 FMxFil=10000

 Number           0
 Base         40960
 End          66560
 End1         66560
 Wr Pntr      40960
 Rd Pntr      40960
 Length       25600
 Error termination in NtrErr:
 NtrErr Called from FileIO.

    Thank you for your help!

Yours sincerely, 				
Ding Xunlei
2005-06-30
______________________________________________