From owner-chemistry@ccl.net Sat Feb 25 12:28:01 2012
From: "sergio.manzetti(!)gmail.com" <owner-chemistry!^!server.ccl.net>
To: CCL
Subject: CCL:G: Error in command line
Message-Id: <-46375-120225113558-7929-OfI86X4fXl1XSAxnwVfafg!^!server.ccl.net>
X-Original-From: sergio.manzetti..gmail.com
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Date: Sat, 25 Feb 2012 17:35:47 +0100
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Sent to CCL by: sergio.manzetti=gmail.com
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Dear CCLrs, I submitted the wrong input in the previous mail. The right one is this:

%nproc=4
 %Mem=1900MB
 #P MPW1PW91/6-311+G(d)/auto scrf=(solvent=water)
 # Opt
 # polar
 # Gfinput IOP(6/7=3) Pop=full Density Test
 # Units(Ang,Deg)

I still get a reply from G03 stating :

 Error parsing percent card:
 QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.


 Sergio

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<span style=3D'font-family:Verdana'><span style=3D'font-size:12px'><br />=
=20
<br />=20
<span id=3D"editor_signature">Dear CCLrs, I submitted the wrong input in th=
e previous mail. The right one is this:</span><br />=20
<br />=20
<span style=3D"font-family:Verdana"><span style=3D"font-size:12px">%nproc=
=3D4<br />=20
%Mem=3D1900MB<br />=20
#P MPW1PW91/6-311+G(d)/auto scrf=3D(solvent=3Dwater)<br />=20
# Opt<br />=20
#&nbsp; polar<br />=20
# Gfinput IOP(6/7=3D3)&nbsp; Pop=3Dfull&nbsp; Density&nbsp; Test<br />=20
# Units(Ang,Deg)</span></span><br />=20
<br />=20
<span id=3D"editor_signature">I still get a reply from G03 stating :</span>=
<br />=20
<br />=20
Error parsing percent card:<br />=20
&nbsp; QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.<br />=20
<br />=20
<br />=20
Sergio<br />=20
<span id=3D"editor_signature"><span style=3D"font-family:Verdana; font-size=
:12px">&nbsp;</span></span></span></span>

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