CCL:G: problems with PBC calculation with G03 version B01

["Cristian V. Diaconu" <cvdiaconu###rice.edu>]

 Sent to CCL by: "Cristian V. Diaconu" [cvdiaconu-#-rice.edu]
Looks like you are low on memory.  Try increasing %mem, and please use
 #p to start
 route, so you get more info.  Try setting %mem= to half or your
 computer RAM, and
 increase it up to 3/4 if that fails.  Do not use more than about 3/4 of
 your
 computer memory because the calculation will become unreasonably slow.
 Chris
 Andreea B abalaceanu_._yahoo.com wrote:
>  Sent to CCL by: "Andreea  B" [abalaceanu^^^yahoo.com]
>  Hello everybody!
>  I am a Master stundent and Im currently working with Gaussian03, trying to
>  compute PBC calculations. There is very little information available on this
>  subject, and I would really need some help.
>  This is my input line:
>   %chk=arm_opt3
>   %mem=64mb
>   %nproc=1
>   Will use up to    1 processors via shared memory.
>   Default route:  MaxDisk=2000MB
>   ----------------------------
>   # opt=tight rpbepbe/6-31g(d)
>   -------
>   arm opt
>   -------
>   Symbolic Z-matrix:
>   Charge =  0 Multiplicity = 1
>  C                     0.        0.        0.
>   H                    -0.1483    0.36848  -0.99354
>   H                    -0.1483    0.79469   0.70098
>   C                     1.43408  -0.54431   0.13691
>   H                     1.583    -0.91102   1.13101
>   H                     1.58177  -1.34029  -0.56274
>   O                     2.36933   0.50414  -0.1295
>   C                     3.70123   0.        0.
>   C                     7.40247   0.        0.
>   C                     11.1037   0.        0.
>   C                     14.80493   0.        0.
>   H                     3.55293   0.36848  -0.99354
>   H                     7.25416   0.36848  -0.99354
>   H                     10.9554   0.36848  -0.99354
>   H                     14.65663   0.36848  -0.99354
>   H                     3.55293   0.79469   0.70098
>   H                     7.25416   0.79469   0.70098
>   H                     10.9554   0.79469   0.70098
>   H                     14.65663   0.79469   0.70098
>   C                     5.13531  -0.54431   0.13691
>   C                     8.83655  -0.54431   0.13691
>   C                     12.53778  -0.54431   0.13691
>   C                     16.23901  -0.54431   0.13691
>   H                     5.28423  -0.91102   1.13101
>   H                     8.98546  -0.91102   1.13101
>   H                     12.6867  -0.91102   1.13101
>   H                     5.283    -1.34029  -0.56274
>   H                     8.98423  -1.34029  -0.56274
>   H                     12.68546  -1.34029  -0.56274
>   H                     16.3867  -1.34029  -0.56274
>   O                     6.07056   0.50414  -0.1295
>   O                     9.77179   0.50414  -0.1295
>   O                     13.47303   0.50414  -0.1295
>   O                     17.17426   0.50414  -0.1295
>   C                     16.45334  -1.0721    1.56767
>   H                     15.81973  -1.91805   1.73443
>   H                     17.47576  -1.36239   1.69132
>   H                     16.21346  -0.30258   2.27137
>   Tv                    18.50617   0.        0.
>  
>  And this is the error message I get:
>   After all major allocation allocation failure:  iend,mxcore=   6642744
>  6600619
>   Error termination via Lnk1e in C:\G03W\l502.exe at Sat Apr 04 07:54:10 2009.
>   Job cpu time:  0 days 18 hours 24 minutes 19.0 seconds.
>   File lengths (MBytes):  RWF=    233 Int=      0 D2E=      0 Chk=     22 Scr=
>  1
>  Thank you very much in advance for your help.
>  Andreea.
> abalaceanu ~ yahoo.com>
>  
 --
 Cristian V. Diaconu
 Postdoctoral Research Associate
 Department of Chemistry - MS60
 Rice University
 PO Box 1892
 Houston, TX 77251-1892
 Phone: 713-348-3734
 Email: cvdiaconu.:+:.rice.edu