VMD-L Mailing List

From: Javaria Ahmed (javah_at_itn.liu.se)
Date: Sun Feb 04 2007 - 23:23:40 CST

Hi,

I am setting up gaussian simulation using paratool. I am generating a com
file for geometry optimization for my structure. It is a 24 atom sructure
with ZN and O atoms.

When I run the job using my com file in gaussian, I get the following
error;
 ******************************************
 Gaussian 03: AM64L-G03RevD.01 13-Oct-2005
                 4-Feb-2007
 ******************************************
 %chk=edited_mol_opt.chk
 %nproc=1
 Will use up to 1 processors via shared memory.
 %mem=1gb
 Error parsing percent card:
  QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.
 %mem=1gb
                               
         '
 Last state="mem2"
 TCursr= 260 LCursr= 8
 Error termination via Lnk1e in
/pdc/vol/gaussian/G03RevD.01/amd64_fc3/g03/l1.exe at Sun Feb 4 20:44:18
2007.
 Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds.
 File lengths (MBytes): RWF= 0 Int= 0 D2E= 0 Chk= 0
Scr= 0
Command exited with non-zero status 1
0.00user 0.01system 0:00.26elapsed 8%CPU (0avgtext+0avgdata 0maxresident)k
0inputs+0outputs (6major+1235minor)pagefaults 0swaps

----------

Why am I getting this syntax error? Am I making some mistake in giving
inputs to paratool ? I am attaching paratool gaussian simulation set up
screen. (consider ESP charges option UNCHECKED)

Best Regards,
Javaria