From owner-chemistry@ccl.net Sun Feb 26 00:52:00 2012 From: "Mehdi Esrafili m_esrafili^-^yahoo.com" To: CCL Subject: CCL:G: Error in command line Message-Id: <-46377-120226002125-20452-O0pLCxkuFFS+UJQeqEfJSg]-[server.ccl.net> X-Original-From: Mehdi Esrafili Content-Type: multipart/alternative; boundary="1018391901-21058971-1330233676=:98692" Date: Sat, 25 Feb 2012 21:21:16 -0800 (PST) MIME-Version: 1.0 Sent to CCL by: Mehdi Esrafili [m_esrafili,,yahoo.com] --1018391901-21058971-1330233676=:98692 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable Dear Sergio;=0AIs there possible to send the output file? I can't find any = error in this input section.=0ASincerely =0A=0A----------------------------= ---------------------------------------------------------------------------= -----------------------=A0=A0=0A`The man who makes no mistakes does not usu= ally make anything.'=0A=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0= =A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0=A0 Edward John Phelps (1822-1= 900)=0A--------------------------------------------------------------------= ---------------------------------------------------------- =0AMehdi D. Esra= fili, Ph.D.=0AAssistant Professor of Physical Chemistry=A0=0ACurrent addres= s:=A0Department of Chemistry, =0AFaculty of Basic Sciences,University of=0A= Margheh, Iran. =0AE-mail 1:m_esrafili**yahoo.com=0AE-mail 2: esrafili**maragh= eh.ac.ir=0A----------------------------------------------------------------= --------------------------------------------------------------=0A=0A=0A____= ____________________________=0A From: sergio.manzetti(!)gmail.com =0ATo: "Esrafili, Mehdi D " = =0ASent: Saturday, February 25, 2012 8:05 PM=0ASubject: CCL:G: Error in com= mand line=0A =0A =0A=0A=0ADear CCLrs, I submitted the wrong input in the pr= evious mail. The right one is this:=0A=0A%nproc=3D4=0A%Mem=3D1900MB=0A#P MP= W1PW91/6-311+G(d)/auto scrf=3D(solvent=3Dwater)=0A# Opt=0A#=A0 polar=0A# Gf= inputIOP(6/7=3D3)=A0 Pop=3Dfull=A0 Density=A0 Test=0A# Units(Ang,Deg)=0A=0A= I still get a reply from G03 stating :=0A=0AError parsing percent card:=0A= =A0 QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.=0A=0A=0ASergio --1018391901-21058971-1330233676=:98692 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
Dear Sergio;<= br>Is there possible to send the output file? I can't find any error in thi= s input section.
Sincerely
--------------------= ---------------------------------------------------------------------------= -------------------------------  
`The man wh= o makes no mistakes does not usually make anything.'
          &nb= sp;            =            Edward John Ph= elps (1822-1900)
--------------------------------------= ---------------------------------------------------------------------------= -------------
Mehdi D. Esrafili, Ph.D.
Assistant Pr= ofessor of Physical Chemistry 
Current address: Departm= ent of Chemistry,
Faculty of Basic Sciences,University= of
Margheh, Iran.
E-mail 1: m_esrafili**yahoo.com
E-mail 2: esrafili**mar= agheh.ac.ir
--------------------------------= ---------------------------------------------------------------------------= -------------------

= From: sergio.manzetti(!)gmail.= com <owner-chemistry**ccl.net>
= To: "Esrafili, Mehdi D " <m_esrafili**yahoo.com> Sent: Saturday, Februar= y 25, 2012 8:05 PM
Subject: CCL:G: Error in command line

= =0A

=0A
=0ADear CCLrs, I submitted the wrong input in th= e previous mail. The right one is this:
=0A
=0A%nproc=3D4
= =0A%Mem=3D1900MB
=0A#P MPW1PW91/6-311+G(d)/auto scrf=3D(solvent=3Dwater= )
=0A# Opt
=0A#  polar
=0A# Gfinput IOP(6/7=3D3)  Pop= =3Dfull  Density  Test
=0A# Units(Ang,Deg)
= =0A
=0AI still get a reply fr= om G03 stating :
=0A
=0AError parsing percent card:
=0A&= nbsp; QPERR --- A SYNTAX ERROR WAS DETECTED IN THE INPUT LINE.
=0A
= =0A
=0ASergio
=0A <= /span>=0A
--1018391901-21058971-1330233676=:98692--