From owner-nwchem-users@emsl.pnl.gov Mon Jun 28 09:00:16 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 i5SG0F68002432 for ; Mon, 28 Jun 2004 09:00:15 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id i5SG0FmK002430 for nwchem-users-outgoing; Mon, 28 Jun 2004 09:00:15 -0700 (PDT) Date: Mon, 28 Jun 2004 08:58:43 -0700 From: "Vorpagel, Erich R" Subject: RE: task_energy: unknown theory:: 0 To: Vasiliy Znamenskiy , nwchem-users@emsl.pnl.gov Message-id: MIME-version: 1.0 X-MIMEOLE: Produced By Microsoft Exchange V6.5.6944.0 Content-type: text/plain; charset=US-ASCII Thread-Topic: task_energy: unknown theory:: 0 Thread-Index: AcRdJ/OBROJzBQA2SlCNcgiRfr4h7QAAKx4g Content-class: urn:content-classes:message X-MS-Has-Attach: X-MS-TNEF-Correlator: X-OriginalArrivalTime: 28 Jun 2004 15:58:44.0445 (UTC) FILETIME=[CA20F8D0:01C45D28] Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from quoted-printable to 8bit by odyssey.emsl.pnl.gov id i5SG0E68002423 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Greetings Vasiliy, The actual task name is "analyze" or "analysis" you have "analyse" which is not the correct spelling in the USA. Erich R. Vorpagel, Ph.D. Chief Scientist MSCF Visualization and User Services Group Environmental Molecular Sciences Laboratory Pacific Northwest National Laboratory P. O. Box 999, MS: K8-91 3335 Q Ave. Phone: 509-376-0751 Richland, WA 99352 FAX: 509-376-0420 Email: erich.vorpagel@pnl.gov Cell Ph: 509-531-6226 Web: http://mscf.emsl.pnl.gov/ -----Original Message----- From: owner-nwchem-users@emsl.pnl.gov [mailto:owner-nwchem-users@emsl.pnl.gov] On Behalf Of Vasiliy Znamenskiy Sent: Monday, June 28, 2004 8:48 AM To: nwchem-users@emsl.pnl.gov Subject: task_energy: unknown theory:: 0 Hi, can somebody explain my error? Input file: _____________ start e13 analysis system e13_md reference e13_md.rst file e13_md.trj frames 1 100 10 copy e13_an.txt end; task analyse __________________ Error message: ___________________ NWChem Input Module ------------------- Analysis Input Module --------------------- ------------------------------------------------------------------------ task_energy: unknown theory 0 ------------------------------------------------------------------------ task_energy: unknown theory 0 ------------------------------------------------------------------------ task_energy: unknown theory 0 task_energy: unknown theory 0 task_energy: unknown theory 0 3:3:task_energy: unknown theory:: 0 task_energy: unknown theory 0 5:5:task_energy: unknown theory:: 0 2:2:task_energy: unknown theory:: 0 4:4:task_energy: unknown theory:: 0 current input line : 9: task analyse ------------------------------------------------------------------------ 1:1:task_energy: unknown theory:: 0 0:0:task_energy: unknown theory:: 0 prun: /scratch/nwchem (host m577 process 3 pid 19461) killed by signal 11 ____________________ Thank you.