From owner-nwchem-users@emsl.pnl.gov Thu Aug 5 06:53:01 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 i75Dr1KQ027246 for ; Thu, 5 Aug 2004 06:53:01 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id i75Dr11x027245 for nwchem-users-outgoing; Thu, 5 Aug 2004 06:53:01 -0700 (PDT) Date: Thu, 05 Aug 2004 14:55:02 +0100 From: "Nuno A. G. Bandeira" Subject: TPSS To: NWChem list Message-id: <41123C36.5000101@alfa.ist.utl.pt> MIME-version: 1.0 Content-type: text/plain; charset=us-ascii; format=flowed Content-transfer-encoding: 7bit X-Accept-Language: en, en-us User-Agent: Mozilla/5.0 (Windows; U; Windows NT 5.1; en-GB; rv:1.7.1) Gecko/20040707 X-OriginalArrivalTime: 05 Aug 2004 13:52:57.0671 (UTC) FILETIME=[83992570:01C47AF3] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hello, I've been trying to do a geometry optimization with TPSS and I got this error message from the gradient module: MA_verify_allocator_stuff: starting scan ... stack block 'Mmat', handle 16, address 0x37067244: current right signature 0 != proper right signature 1431655765 Any idea what could be wrong ? -- Nuno A. G. Bandeira - --------------------------------------