From owner-nwchem-users@emsl.pnl.gov Wed May 18 00:41:50 2005 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 j4I7foqj022500 for ; Wed, 18 May 2005 00:41:50 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id j4I7fojD022499 for nwchem-users-outgoing; Wed, 18 May 2005 00:41:50 -0700 (PDT) Date: Wed, 18 May 2005 09:41:44 +0200 From: "Claudio Redaelli (CSCS)" Subject: NWChem4.7 restart with NWChem4.6 db To: nwchem-users@emsl.pnl.gov Message-id: <428AF1B8.2030200@cscs.ch> Organization: Swiss Center for Scientific Computing - Via Cantonale, CH-6928 Manno (CH) MIME-version: 1.0 Content-type: text/plain; charset=us-ascii; format=flowed Content-transfer-encoding: 7bit X-Accept-Language: en, it, el, ja User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.7.2) Gecko/20040805 Netscape/7.2 X-Spam-Status: No, hits=-5.2 required=4.5 tests=BAYES_00,USER_AGENT_MOZILLA_UA version=2.55 X-Spam-Level: X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Dear all, starting a job with NWChem4.7 from a NWChem4.6 .db file we are experimenting the following errors: geom_rtdb_load: not found or rtdb corrupt: geometry -> geometry geom_rtdb_load: open geometies: 1 1 geom_rtdb_load: "geometry" -> "geometry" geom_rtdb_load: geometries in last accessed data base: 1 geometry ------------------------------------------------------------------------ hnd_opt: no geometry 911 ------------------------------------------------------------------------ ------------------------------------------------------------------------ current input line : 5: task scf optimize ------------------------------------------------------------------------ ------------------------------------------------------------------------ An error occured in the Runtime Database ------------------------------------------------------------------------ For more information see the NWChem manual at http://www.emsl.pnl.gov/docs/nwchem/nwchem.html For further details see manual section: 0:0:hnd_opt: no geometry:: 911 0:ARMCI aborting 911(38f) Is it a bug? or is it a normal 4.7 behavior? Any hints will be really appreciated Claudio