From chemistry-request ":at:" server.ccl.net Wed Apr 3 10:50:36 2002 Received: from dux1.tcd.ie ([134.226.1.23]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g33Foap20264 for ; Wed, 3 Apr 2002 10:50:36 -0500 Received: from wallaceiwork (chy108098.phy.tcd.ie [134.226.108.98]) by dux1.tcd.ie (Postfix) with SMTP id 604EF629 for ; Wed, 3 Apr 2002 16:50:25 +0100 (IST) Message-ID: <003b01c1db27$ad99a660$626ce286 %-% at %-% wallaceiwork> From: "Iain Wallace" To: "CCL" Subject: CCL: Gaussian 98 benchmarks Date: Wed, 3 Apr 2002 16:53:20 +0100 MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_NextPart_000_0038_01C1DB30.0F536000" X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2919.6700 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2919.6700 This is a multi-part message in MIME format. ------=_NextPart_000_0038_01C1DB30.0F536000 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Hi all,=20 I was wondering if any one could tell me where I could get some = benchmarks for G98 1) Intel pentium dual processor machines 2) IBM Sp/2 using Linda Ideally it would have a few sample files. I want to run a few test jobs = to make sure that my version of=20 gaussian is installed properly. Does any one have any optimisation tips = for compiling it ?=20 Also, does any one know if there is a utility program that will tell you = how many basis functions a particular molecule will have without running a job in Gaussian? Or is there a way = of getting gaussian just to output=20 the number of basis but not to run any calculations?=20 Thanks a million for all your help=20 Iain=20 ------=_NextPart_000_0038_01C1DB30.0F536000 Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable

Hi all,

I was wondering if any one could tell = me where I=20 could get some benchmarks for G98

1) Intel pentium dual processor=20 machines

2) IBM Sp/2 using Linda

Ideally it would have a few sample = files. I want to=20 run a few test jobs to make sure that my version of

gaussian is installed properly. Does = any one have=20 any optimisation tips for compiling it ?

Also, does any one know if there is a = utility=20 program that will tell you how many basis functions a = particular

molecule will have without running a = job in=20 Gaussian? Or is there a way of getting gaussian just to output =

the number of basis but not to run any=20 calculations?

Thanks a million for all your help =

Iain

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