From owner-nwchem-users@emsl.pnl.gov Thu May 17 15:22:58 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 l4HMMvFI000761 for ; Thu, 17 May 2007 15:22:58 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id l4HMMvx6000760 for nwchem-users-outgoing-0915; Thu, 17 May 2007 15:22:57 -0700 (PDT) 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: 4.0 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: Ah4FAAJzTEaDe/YDjGdsb2JhbAA7j1MBAQEICAQOHw X-IronPort-AV: i="4.14,550,1170662400"; d="scan'208"; a="20503080:sNHT13961724693" Message-ID: <464D11C3.6020905@kent.edu> Date: Thu, 17 May 2007 22:38:59 -0400 From: brett ellman User-Agent: Thunderbird 1.5 (X11/20051201) MIME-Version: 1.0 To: nwchem-users@emsl.pnl.gov Subject: [NWCHEM] Segmentation fault on Altix Content-Type: text/plain; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 7bit X-Mlf-Version: 4.6.0.7527 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hello: I have been trying to run nwchem5.0 on an SGI Altix. Regardless of how I compile (with/without mpi, using Atlas or the default BLAS), I get ##################### ... Symmetry analysis of basis -------------------------- a' 72 a" 18 Forming initial guess at 0.3s Superposition of Atomic Density Guess ------------------------------------- Sum of atomic energies: -767.83620318 0:Segmentation Violation error, status=: 11 0:Segmentation Violation error, status=: 11 Last System Error Message from Task 0:: Inappropriate ioctl for device 0: ARMCI aborting 11 (0xb). 0: ARMCI aborting 11 (0xb). system error message: Inappropriate ioctl for device ######################## at the end of a simple scf/sto-3g single-point test calculation. The compilation environment is (for the simplest case) LARGE_FILES=TRUE NWCHEM_TOP=/usr/local/src/nwchem-5.0 NWCHEM_TARGET=LINUX64 and I am using the intel 8.1 Fortran compiler. ANy help is deeply appreciated! Brett Ellman Brett Ellman Associate Professor of Physics Kent State University 105 Smith Lab Kent, OH 44242 (330) 672-9575 (330) 672-2959 (FAX)