From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Mon Feb 05 2007 - 12:20:12 CST

On Mon, 5 Feb 2007, Javaria Ahmed wrote:

JA> When I run the job using my com file in gaussian, I get the following
JA> error;
JA> ******************************************
JA> Gaussian 03: AM64L-G03RevD.01 13-Oct-2005
JA> 4-Feb-2007
JA> ******************************************
JA> %chk=edited_mol_opt.chk
JA> %nproc=1
JA> Will use up to 1 processors via shared memory.
JA> %mem=1gb
JA> Error parsing percent card:
JA> QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.
JA> %mem=1gb

javaria,

please have a close look at the memory specification syntax in the
gaussian manual. the syntax is described as, eg.:

%Mem=20MW

so the capitalization is different from what you are using. some
fortran parsers (especially with g03) are very picky about that
(i remember the dec fortran compiler on dec/compaq/hp workstations
as one example). allowed units are KB, MB, GB, KW, MW, and GW
(the W stands for 1 double precision floating point 'word',
i.e. 8 byte).

in other words, try (provided you have that much memory):

%Mem=1GB

cheers,
   axel.

JA>
JA> '
JA> Last state="mem2"
JA> TCursr= 260 LCursr= 8
JA> Error termination via Lnk1e in
JA> /pdc/vol/gaussian/G03RevD.01/amd64_fc3/g03/l1.exe at Sun Feb 4 20:44:18
JA> 2007.
JA> Job cpu time: 0 days 0 hours 0 minutes 0.0 seconds.
JA> File lengths (MBytes): RWF= 0 Int= 0 D2E= 0 Chk= 0
JA> Scr= 0
JA> Command exited with non-zero status 1
JA> 0.00user 0.01system 0:00.26elapsed 8%CPU (0avgtext+0avgdata 0maxresident)k
JA> 0inputs+0outputs (6major+1235minor)pagefaults 0swaps
JA>
JA> ----------
JA>
JA> Why am I getting this syntax error? Am I making some mistake in giving
JA> inputs to paratool ? I am attaching paratool gaussian simulation set up
JA> screen. (consider ESP charges option UNCHECKED)
JA>
JA>
JA> Best Regards,
JA> Javaria
JA>
JA>

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
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