From owner-nwchem-users@emsl.pnl.gov Fri Dec 10 01:00:56 2004 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 iBA90u0h023684 for ; Fri, 10 Dec 2004 01:00:56 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id iBA90uNC023683 for nwchem-users-outgoing; Fri, 10 Dec 2004 01:00:56 -0800 (PST) Date: Fri, 10 Dec 2004 04:00:50 -0500 (EST) From: Yinghua.Shen@dartmouth.edu (Yinghua Shen) Subject: Bus error To: nwchem-users@emsl.pnl.gov Message-id: <25807472@comet.Dartmouth.EDU> MIME-version: 1.0 X-Mailer: BlitzMail=?ISO-8859-1?Q?=AE?= version 2.6.2/blitzserv 3.11b11 Content-type: text/plain Content-disposition: inline X-MailScanner: Found to be clean by mailhub.Dartmouth.EDU X-MailScanner-From: yinghua.shen@dartmouth.edu Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Dear All, I got the following error message while running EOM-CCSD calculations: ******************************************** Iteration 11 using 33 trial vectors 0.0025569710288 0.0482845084933 1.31389 0.0068739626280 0.0761258020753 2.07149 0.0199627723627 0.0784080915769 2.13359 174.2 1075.1 Iteration 12 using 36 trial vectors 0:Bus error, status=: 7 p0_10222: p4_error: : 7 ************************************************* Here is the input file: ************************************************************** echo start temp memory 2000 mb geometry cu3 Cu 0.000000 0.000000 0.000000 Cu 0.000000 1.250459 -1.909794 Cu 0.000000 -1.250459 -1.909794 end geometry ar Ar 0.000000 0.000000 2.60 end geometry cu3ar Cu 0.000000 0.000000 0.000000 Cu 0.000000 1.250459 -1.909794 Cu 0.000000 -1.250459 -1.909794 Ar 0.000000 0.000000 2.60 end basis spherical Cu library stuttgart_rsc_1997_ecp Cu f 1.36 1.000 Cu f 0.453 1.000 Ar library stuttgart_rlc_ecp end ecp Cu library stuttgart_rsc_1997_ecp Ar library stuttgart_rlc_ecp end set geometry ar charge 0. scf UHF; maxiter 3000 vectors input atomic output ar.mos end task scf energy set geometry cu3 charge 0. scf maxiter 3000 UHF; doublet; vectors input atomic output cu3.mos end task scf energy set geometry cu3ar charge 0. scf maxiter 3000 UHF; doublet; vectors input fragment cu3.mos ar.mos output cu3ar.mos end task scf energy TCE CCSD DIPOLE FREEZE CORE 13 virtual 135 NROOTS 3 maxiter 3000 END TASK TCE ENERGY ********************************************************************** Anyone has some experience with it? Any hint? Thanks a lot in avdvance, Yinghua Shen