输入文件:
******************************************
%chk=prod20ns.chk
%mem=480MW
%nproc=8
Will use up to 8 processors via shared memory.
----------------------------
#p b3lyp/6-31g* opt scrf=pcm
----------------------------
报错是:
Leave Link 103 at Fri Nov 12 05:22:00 2010, MaxMem= 503316480 cpu: 75.1
(Enter /apps/g03/l202.exe)
Small interatomic distances encountered:
2 1
3 1
3 2
4 1
4 2
4 3
5 1
5 2
5 3
5 4
6 1
6 2
6 3
6 4
6 5
7 1
7 2
7 3
7 4
7 5
Problem with the distance matrix.
Error termination via Lnk1e in /apps/g03/l202.exe at Fri Nov 12 05:22:02 2010.
Job cpu time: 12 days 7 hours 53 minutes 2.1 seconds.
File lengths (MBytes): RWF= 6284 Int= 0 D2E= 0 Chk= 96 Scr= 1
40570,2 Bot