Subject: g03 help with pbc job

From: 6!Q8@W <dxl$at$mail.ustc.edu.cn>
Date: Sun, 9 Nov 2003 10:35:59 +0800

Dear CCLs：

I used g03 to do a Periodic Boundary 
Conditions jobs(pbc) job. But it failed .
The input file and the error message in output file are below.

input file : 			
#lsda/6-311G  test

Gaussian Test Job 589:
NaCl 3d test

0,1
Na     -1.285832   -1.285832   -1.285832
Cl     -1.285832   -1.285832    1.285832
Cl     -1.285832    1.285832   -1.285832
Na     -1.285832    1.285832    1.285832
Cl      1.285832   -1.285832   -1.285832
Na      1.285832   -1.285832    1.285832
Na      1.285832    1.285832   -1.285832
Cl      1.285832    1.285832    1.285832
Tv      5.143328    0.000000    0.000000
Tv      0.000000    5.143328    0.000000
Tv      0.000000    0.000000    5.143328

The message in output file is:

 CountK=T Total number of k points:       0
 CountK=T Total number of k points:     256
 PrmDim-Cnvrt allocation failure:  iend,mxcore=  22230037  12561486
 Error termination via Lnk1e in /public/soft/g03/l302.exe at Tue Oct 28 17:47:14 2003.
 Job cpu time:  0 days  0 hours  1 minutes 15.7 seconds.
 File lengths (MBytes):  RWF=      7 Int=      0 D2E=      0 Chk=      1 Scr=      1
	
How to solve the problem?	
	
    Thank you for your help!　　　　　　　　
 				
　　　　　　　　　　　　　　Ding Xunlei
　　　　　　　　　　　　　　2003-10-28
______________________________________________
Ding Xunlei, Ph.D. Candidate
Open Laboratory of Bond Selective Chemistry
University of Science & Technology of China
Hefei, Anhui 230026, P.R.China
Tel.: 0086-551-3603418
Fax.: 0086-551-3602969
E-mail: [email-masked]
Http://www.bsc.ustc.edu.cn/~dxl