From owner-nwchem-users@emsl.pnl.gov Wed Mar 1 08:49:05 2006 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 k21Gn407025930 for ; Wed, 1 Mar 2006 08:49:04 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.12.10/8.12.10/Submit) id k21Gn466025929 for nwchem-users-outgoing-0915; Wed, 1 Mar 2006 08:49:04 -0800 (PST) Date: Wed, 01 Mar 2006 08:49:01 -0800 From: =?ISO-8859-1?Q?Edoardo_Apr=E0?= Subject: [NWCHEM] Re: output of aump2 file In-reply-to: <200603011110.k21BAt4h001991@odyssey.emsl.pnl.gov> To: kapsom@chem.auth.gr Cc: NWChem Users Message-id: <4405D07D.5010100@pnl.gov> MIME-version: 1.0 Content-type: text/plain; charset=ISO-8859-1; format=flowed Content-transfer-encoding: 8BIT X-Accept-Language: en-us, en User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.7.12) Gecko/20050923 Thunderbird/1.0.7 Mnenhy/0.7.3.0 References: <200603011110.k21BAt4h001991@odyssey.emsl.pnl.gov> X-OriginalArrivalTime: 01 Mar 2006 16:49:02.0625 (UTC) FILETIME=[0B7FF110:01C63D50] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk George your job terminated be cause of an I/O error (e.g. you run out of disk space). Edo > > From: george kapsomenos > > > > Dear nwchem-users, > Testing some of the files that are in the QA subdirectory I found an = > archive with a calculation of Aump2. Trying to test this file I noticed = > an unfinished output. Culd i ask what is the problem and if i could find = > a way to bypass the problem? Thanks > G. Kapsomenos > > number of occupied 9 > number of virtual 122 > number of deleted 0 > total functions 131 > number of shells 35 > basis label 566 > > > > ***** ccsd parameters ***** > iprt =3D 0 > convi =3D 0.100E-05 > maxit =3D 20 > mxvec =3D 5 > memory 49549215 > IO offset 12. > IO error message >End of File > file_read_ga: failing writing to ./Au+.t2 > -- Edoardo Aprà - PNNL - P.O. Box 999, MS K8-91 - Richland, WA 99352 Fax +1-509-376-0420