From owner-chemistry@ccl.net Sun Apr 13 12:27:00 2014 From: "Olasunkanmi Lukman Olawale walecomuk*o*yahoo.co.uk" To: CCL Subject: CCL:G: Gaussview/G09W interface Message-Id: <-49914-140413012850-11111-pRTZMq1A7JzSbNsBeTwp0A^-^server.ccl.net> X-Original-From: Olasunkanmi Lukman Olawale Content-Type: multipart/alternative; boundary="-1132928367-1721015640-1397366919=:59998" Date: Sun, 13 Apr 2014 06:28:39 +0100 (BST) MIME-Version: 1.0 Sent to CCL by: Olasunkanmi Lukman Olawale [walecomuk-x-yahoo.co.uk] ---1132928367-1721015640-1397366919=:59998 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable Thank you for your suggestions on this issue. The problem has been resolved= .=0A=0A=0A=A0=0ALukman =0A=0A=0A=0A________________________________=0A From= : oluwakemi whenu oluwakemi.whenu|*|gmail.com =0AT= o: "Olasunkanmi, Olawale Lukman " =0ASent: = Friday, 11 April 2014, 16:03=0ASubject: CCL:G: Gaussview/G09W interface=0A = =0A=0A=0AReinstall both programs gaussian first =0AOn Apr 11, 2014 2:12 PM,= "Olasunkanmi Lukman Olawale walecomuk[A]yahoo.co.uk" wrote:=0A=0A=0A>=0A>Hello,=0A>I am using G09W (V. D.01) with input f= rom Gaussview 5.0. These programs have been working perfectly until two day= ago when the Gaussview would bring up an error message at start-up: "Will = not be able to execute Gaussian using =0Athe following command-line: .. GX= XW-run-inp=3D .. INFILE-out=3D .. OUTFILE =A0 =A0 =A0 =0AReason: Can't loca= te an executable file path for: .. GXXXW Tried .. GXXXW=3DG09W.exe, g09w.e= xe, g03w.exe, gdrw.exe, g98w.exe, g94w.exe.=0A>=0A>=0A>Now it is not possib= le to initiate Gaussian 09W calculations from GaussView Window again becaus= e the "submit" button is no longer active. More so, .chk files obtained fro= m previous calculations would not open: error: "Can't find Gaussian formchk= utility"=0A>=0A>=0A>I presumed someone out there might have experienced th= is problem and resolved it before. Kindly share your experience with me in = order to normalize this urgly situation.=0A>=0A>Thank you in anticipation.= =0A>=A0=0A>Lukman =0A>walecomuk .. yahoo.co.uk=0A> ---1132928367-1721015640-1397366919=:59998 Content-Type: text/html; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable
Thank you for your suggestions on this issue. The problem has= been resolved.

 
Lukman

=
From: oluwakemi whenu oluwakemi.w= henu|*|gmail.com <owner-chemistry**ccl.net>
To: "Olasunkanmi, Olawale Lukman " <walecomuk**yahoo.co.uk>
S= ent: Friday, 11 April 2014, 16:03
Subject: CCL:G: Gaussview/G09W interface
=

<= div dir=3D"ltr">Reinstall both programs gaussian first
=0A
On Apr 11, 2014 2:12 PM, "Olasunkanmi Lukman Olaw= ale walecomuk[A]yahoo.co.uk" <owner-chemistry*_*ccl.net> wro= te:
=0A
=
=0A
Hello,
I am using G09W (V= . D.01) with input from Gaussview 5.0. These programs have been working per= fectly until two day ago when the Gaussview would bring up an error message= at start-up: "Will not be able to execute Gaussian using =0At= he following command-line: .. GXXW-run-inp=3D .. INFILE-out=3D .. OUTFILE =       =0AReason: Can't locate an executable file path for: .= . GXXXW Tried =0A .. GXXXW=3DG09W.exe, g09w.exe, g03w.exe, gdrw.exe, g98w.e= xe, g94w.exe.
=0A
=
Now it is not possible to initiate G= aussian 09W calculations from GaussView=0A Window again because the "submit= " button is=0A no longer active. More so, .chk files obtained from previous= calculations would not open: error: "Can't find Gaussian formchk utility"<= /span>
=0A
I presumed someone out there might have experienced= this problem and resolved it before. Kindly share your experience with me = in order to normalize this urgly=0A situation.
Thank you in anticipation.
 
Lukman
walecomuk .. yahoo.co.uk=0A


---1132928367-1721015640-1397366919=:59998-- From owner-chemistry@ccl.net Sun Apr 13 13:02:00 2014 From: "Edrisse Chermak edrisse.chermak.:.kaust.edu.sa" To: CCL Subject: CCL:G: which would be the optimal hardware for future Gaussian versions ? Message-Id: <-49915-140413014903-13420-Ji4GHf3KaZ8GR3QaYqdIXg*server.ccl.net> X-Original-From: "Edrisse Chermak" Date: Sun, 13 Apr 2014 01:49:02 -0400 Sent to CCL by: "Edrisse Chermak" [edrisse.chermak#,#kaust.edu.sa] Dear Gaussian developers, We are currently running Gaussian over AMD CPUS, and we plan to buy new hardware equipment for the 1-2 next coming years. Thus, we would like to know which hardware architecture would be the best to run future versions of Gaussian. So my question is : are x86 CPUS still the best option or would it be more valuable to run future Gaussian versions on new architectures like GPU and/or Intel Xeon Phi ? Best Regards, Edrisse