From owner-nwchem-users@emsl.pnl.gov Fri Mar 18 10:43:44 2005 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.12.10/8.12.10) with ESMTP id j2IIhiUJ019454 for ; Fri, 18 Mar 2005 10:43:44 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id j2IIhi0o019453 for nwchem-users-outgoing; Fri, 18 Mar 2005 10:43:44 -0800 (PST) Date: Fri, 18 Mar 2005 19:43:32 +0100 (MET) From: Sigismondo Boschi Subject: nwchem on cray XD1 To: nwchem-users@emsl.pnl.gov Message-id: <423B2161.8070806@cineca.it> MIME-version: 1.0 Content-type: text/plain; charset=ISO-8859-1; format=flowed Content-transfer-encoding: 7bit X-Accept-Language: en-us, en User-Agent: Mozilla Thunderbird 0.9 (X11/20041127) X-Virus-Scanned: Cineca AppOs 0.85 at as1.cineca.com Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi all, I was wondering if any of you have can give me some support to compile nwchem in the best way for CRAY XD1: such machine has Cray's optimized version of Global Arrays, so I am quite sure someone is very well experienced with it, and can drive me in the right direction. Many thanks for any help. Regards, Sigismondo Boschi -- Sigismondo Boschi, Ph.D. tel: +39 051 6171559 CINECA (High Performance Systems) fax: +39 051 6137273 - 6132198 via Magnanelli, 6/3 http://instm.cineca.it 40033 Casalecchio di Reno (BO)-ITALY http://www.cineca.it