From owner-chemistry@ccl.net Sun Feb 28 14:17:01 2010 From: "Serdar Bado?lu sbadoglu:-:gazi.edu.tr" To: CCL Subject: CCL:G: Gaussian03 %mem and %nproc Message-Id: <-41336-100228141240-6189-3u75LiEG5MHT0i7ESU46DA(0)server.ccl.net> X-Original-From: "Serdar Bado?lu" Date: Sun, 28 Feb 2010 18:40:20 -0000 Sent to CCL by: "Serdar Bado?lu" [sbadoglu,gazi.edu.tr] Hi all, I have a laptop with Intel Core Duo 2.53 GHz CPU, and 4 GB RAM. When at home, I use my laptop to do some calculations with Gaussian 03. Recently I have decided to use higher Link0 settings and I need to ask some questions now. I can use: %mem=1GB %nproc=1 But if I use bigger values then I get error message. So; here are my questions: 1- Although I have 4 GB physical memory, why I get error message if I entered %mem value greater than 1 GB? 2- Since I have a core duo cpu, shouldn't I use %nproc=2? But then I get error message again. Thanks for any help. -- Serdar BADOGLU http://docs.google.com/View?id=dckx8v2c_29g9scr9fv From owner-chemistry@ccl.net Sun Feb 28 17:43:00 2010 From: "=?iso-8859-1?Q?Jos=E9?= Alberto Pires Fernandes jafernandes=ua.pt" To: CCL Subject: CCL:G: Gaussian03 %mem and %nproc Message-Id: <-41337-100228173051-30340-RWKj02jiPZ3G/o7kteHi1A(a)server.ccl.net> X-Original-From: "=?iso-8859-1?Q?Jos=E9?= Alberto Pires Fernandes" Content-Transfer-Encoding: 8bit Content-Type: text/plain;charset=iso-8859-1;format="flowed" Date: Sun, 28 Feb 2010 20:30:33 +0000 MIME-Version: 1.0 Sent to CCL by: "=?iso-8859-1?Q?Jos=E9?= Alberto Pires Fernandes" [jafernandes[*]ua.pt] Hello The %nproc comand only works if you have the multiprocessor version of Gaussian. With the one processor version, you'll get an error message if you put nproc=2. I don't know how to help with the %mem comand. Greetings Em Sun, 28 Feb 2010 18:40:20 -0000 "Serdar Bado?lu sbadoglu:-:gazi.edu.tr" escreveu: > > Sent to CCL by: "Serdar Bado?lu" [sbadoglu,gazi.edu.tr] > Hi all, > > I have a laptop with Intel Core Duo 2.53 GHz CPU, and 4 >GB RAM. When at > home, I use my laptop to do some calculations with >Gaussian 03. Recently I > have decided to use higher Link0 settings and I need to >ask some questions > now. I can use: > > %mem=1GB > %nproc=1 > > But if I use bigger values then I get error message. So; >here are my > questions: > > 1- Although I have 4 GB physical memory, why I get error >message if I > entered %mem value greater than 1 GB? > 2- Since I have a core duo cpu, shouldn't I use >%nproc=2? But then I get > error message again. > > Thanks for any help. > > > -- > Serdar BADOGLU > http://docs.google.com/View?id=dckx8v2c_29g9scr9fv > > > > -= This is automatically added to each message by the >mailing script =- > To recover the email address of the author of the >message, please change > the strange characters on the top line to the /./ sign. >You can also> > E-mail to administrators: CHEMISTRY-REQUEST/./ccl.net or >use> Conferences: >http://server.ccl.net/chemistry/announcements/conferences/ > > Search Messages: >http://www.ccl.net/chemistry/searchccl/index.shtml> > RTFI: >http://www.ccl.net/chemistry/aboutccl/instructions/ > > José Fernandes Departamento de Quimica Universidade de Aveiro 3810-193 Aveiro Portugal Tel: +351234370720 Fax: +351234370084 From owner-chemistry@ccl.net Sun Feb 28 22:05:00 2010 From: "Jamin Krinsky jamink|berkeley.edu" To: CCL Subject: CCL:G: Gaussian03 %mem and %nproc Message-Id: <-41338-100228215955-25442-KPyxRTV0WtmWQ3tOyovltw*|*server.ccl.net> X-Original-From: Jamin Krinsky Content-Type: multipart/alternative; boundary=00163630f445e47a740480b47075 Date: Sun, 28 Feb 2010 18:59:43 -0800 MIME-Version: 1.0 Sent to CCL by: Jamin Krinsky [jamink|-|berkeley.edu] --00163630f445e47a740480b47075 Content-Type: text/plain; charset=ISO-8859-1 Dear Serder, What OS are you using on your laptop? Unless you pay more, the Windows version of Gaussian is serial, so you cannot run more than one processor. Their web page says it can use up to 2GB of memory. Have you tried setting %mem=1800MB? I've found that on the 32-bit Linux version of G03 specifying 2GB results in an error (I think Gaussian defines the 2GB limit in words). Best regards, Jamin On Sun, Feb 28, 2010 at 10:40 AM, Serdar Bado?lu sbadoglu:-:gazi.edu.tr < owner-chemistry===ccl.net> wrote: > > Sent to CCL by: "Serdar Bado?lu" [sbadoglu,gazi.edu.tr] > Hi all, > > I have a laptop with Intel Core Duo 2.53 GHz CPU, and 4 GB RAM. When at > home, I use my laptop to do some calculations with Gaussian 03. Recently I > have decided to use higher Link0 settings and I need to ask some questions > now. I can use: > > %mem=1GB > %nproc=1 > > But if I use bigger values then I get error message. So; here are my > questions: > > 1- Although I have 4 GB physical memory, why I get error message if I > entered %mem value greater than 1 GB? > 2- Since I have a core duo cpu, shouldn't I use %nproc=2? But then I get > error message again. > > Thanks for any help. > > > -- > Serdar BADOGLU > http://docs.google.com/View?id=dckx8v2c_29g9scr9fv> > > -- Jamin L Krinsky, Ph.D. Molecular Graphics and Computation Facility 175 Tan Hall, University of California, Berkeley, CA 94720 jamink===berkeley.edu, 510-643-0616 http://glab.cchem.berkeley.edu --00163630f445e47a740480b47075 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Dear Serder,
What OS are you using on your laptop? Unless you pay more, = the Windows version of Gaussian is serial, so you cannot run more than one = processor. Their web page says it can use up to 2GB of memory. Have you tri= ed setting %mem=3D1800MB? I've found that on the 32-bit Linux version o= f G03 specifying 2GB results in an error (I think Gaussian defines the 2GB = limit in words).
Best regards,
Jamin

On Sun, Feb 28, 20= 10 at 10:40 AM, Serdar Bado?lu sbadoglu:-:ga= zi.edu.tr <owner-chemistry===ccl.net> wrote:

Sent to CCL by: "Serdar Bado?lu" [sbadoglu,gazi.edu.tr]
Hi all,

I have a laptop with Intel Core Duo 2.53 GHz CPU, and 4 GB RAM. When at
home, I use my laptop to do some calculations with Gaussian 03. Recently I<= br> have decided to use higher Link0 settings and I need to ask some questions<= br> now. I can use:

%mem=3D1GB
%nproc=3D1

But if I use bigger values then I get error message. So; here are my
questions:

1- Although I have 4 GB physical memory, why I get error message if I
entered %mem value greater than 1 GB?
2- Since I have a core duo cpu, shouldn't I use %nproc=3D2? But then I = get
error message again.

Thanks for any help.


--
Serdar BADOGLU
http://docs.google.com/View?id=3Ddckx8v2c_29g9scr9fv



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--
Jamin L Krinsky, Ph.D.<= br>Molecular Graphics and Computation Facility
175 Tan Hall, University = of California, Berkeley, CA 94720
jamink===berkeley.edu, 510-643-0616
http://glab.cchem.berkeley.edu

--00163630f445e47a740480b47075--