From owner-nwchem-users@emsl.pnl.gov Fri Sep 15 08:57:45 2006 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 k8FFviYR024721 for ; Fri, 15 Sep 2006 08:57:45 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id k8FFvi9w024720 for nwchem-users-outgoing-0915; Fri, 15 Sep 2006 08:57:44 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-IronPort-AV: i="4.09,171,1157353200"; d="scan'208"; a="6174297:sNHT24489619" X-MimeOLE: Produced By Microsoft Exchange V6.5 Content-class: urn:content-classes:message MIME-Version: 1.0 Content-Type: text/plain; charset="utf-8" Subject: Re: [NWCHEM] properties error Date: Fri, 15 Sep 2006 08:57:40 -0700 Message-ID: <1692FA5FE0EBFD40B2B4097DAFEA887C4A30CE@EMAIL02.pnl.gov> X-MS-Has-Attach: X-MS-TNEF-Correlator: Thread-Topic: [NWCHEM] properties error Thread-Index: AcbY0/GqjOrGbhYlQNySk2FtMZ2w2gAC7qZL From: "DeJong, Wibe A" To: , X-OriginalArrivalTime: 15 Sep 2006 15:57:43.0441 (UTC) FILETIME=[ADF44010:01C6D8DF] Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from base64 to 8bit by odyssey.emsl.pnl.gov id k8FFvh8w024717 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Dmitry, Could you please post the input and output so we can take a look at it. Thanks, Bert de Jong NWChem development -------------------------- Sent from my BlackBerry Wireless Device -----Original Message----- From: owner-nwchem-developers@emsl.pnl.gov To: nwchem-users@emsl.pnl.gov Sent: Fri Sep 15 07:22:39 2006 Subject: [NWCHEM] properties error Dear Users, What error is it? --------------------------------------------------- Calculating Fermi-Contact and Spin-Dipole Responses --------------------------------------------------- 0:0:nga_add_patch:g_a indices out of range :: -996 Error -996, process 0: