From owner-nwchem-users@emsl.pnl.gov Mon Feb 19 13:16:26 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.8/8.13.8) with ESMTP id l1JLGPto005793 for ; Mon, 19 Feb 2007 13:16:26 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id l1JLGPbw005792 for nwchem-users-outgoing-0915; Mon, 19 Feb 2007 13:16:25 -0800 (PST) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: OK_Domains X-Ironport-SBRS: 3.5 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAAGmi2UXNrjANh2dsb2JhbACPGwEIDip5kXMBAQE X-IronPort-AV: i="4.14,191,1170662400"; d="scan'208"; a="20887347:sNHT17657570" X-Authentication-Warning: jsucc.jsu.edu: apache set sender to gryko@jsu.edu using -f Message-ID: <1171918647.45da0f380181a@gem.jsu.edu> Date: Mon, 19 Feb 2007 14:57:28 -0600 From: gryko@jsu.edu To: nwchem-users@emsl.pnl.gov Subject: [NWCHEM] NWCHEM Allocation problem MIME-Version: 1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit User-Agent: Internet Messaging Program (IMP) 3.2.8 X-Originating-IP: 205.174.49.185 X-vamsi: scanned Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hello: This is probably very basic problem, but what is the best way to run relatively large job having only 2 Gb of memory? I am getting something like: 0:0:hess_init: could not allocate g_rhs:: 555 Last System Error Message from Task 0:: Inappropriate ioctl for device 0: ARMCI aborting 555 (0x22b). while trying to get IR spectrum with 6-31g** basis set. Many thanks, Jan