From owner-nwchem-users@emsl.pnl.gov Fri May 18 17:27:34 2007 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 l4J0RXK4015720 for ; Fri, 18 May 2007 17:27:34 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id l4J0RX6d015719 for nwchem-users-outgoing-0915; Fri, 18 May 2007 17:27:33 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Ironport-SG: OK_Domains X-Ironport-SBRS: 4.7 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAAPTgTUaTjwISk2dsb2JhbACQEQEBAQEHCAYHBx0 X-IronPort-AV: i="4.14,554,1170662400"; d="scan'208"; a="32235435:sNHT18848186" Mime-Version: 1.0 Message-Id: Reply-to: a.k.croft@bangor.ac.uk Date: Sat, 19 May 2007 00:43:35 +0100 To: nwchem-users@emsl.pnl.gov From: Anna K Croft Subject: [NWCHEM] problem with precompiled binaries RH Content-Type: text/plain; charset="us-ascii" ; format="flowed" X-UWB-MailScanner-Information: Please contact the ISP for more information X-UWB-MailScanner: Found to be clean X-UWB-MailScanner-SpamCheck: nid sbam/not spam, SpamAssassin (not cached, sgor/score=0, yn ofynnol/required 4.5, autolearn=disabled) X-UWB-MailScanner-From: a.k.croft@bangor.ac.uk X-Spam-Status: No Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk I have just tried installing NWChem 5.0 on our RedHat system using the downloadable redhat binaries. I've tried both 64-bitAMD and the other versions, including g77, ifort and pfg77 compiled versions, but with the same error: nwchem: error while loading shared libraries: libimf.so: cannot open shared object file: No such file or directory However, if I run locate: /home/keith/opt/compiler70/ia32/lib/libimf.a /home/keith/opt/compiler70/ia32/lib/libimf.so /lib/libimf.so /opt/intel/ict/2.0.1/ita/6.0.1/lib/libimf.so /opt/intel/fc/9.1.036/lib/libimf.a /opt/intel/fc/9.1.036/lib/libimf.so /opt/intel/fce/9.1.036/lib/libimf.a /opt/intel/fce/9.1.036/lib/libimf.so /usr/local/accelrys/ms/share/lib/libimf.so /usr/local/lib/libimf.so /usr/accelrys/MaterialsStudio/share/lib/libimf.so /usr/lib/libimf.so /usr/usr/local/accelrys/ms/share/lib/libimf.so There are clearly a number of places this can be accessed, some of which at least are also in my library path: LD_LIBRARY_PATH=/usr/local/g03/bsd:/usr/local/g03/local:/usr/local/g03/extras:/usr/local/g03:/usr/local/gv/lib:/opt/glibc2.3/lib:$GAUSS_EXEDIR:/opt/intel/fc/9.1.036/lib:/usr/local/lib:/usr/lib Am I missing something - should the library be located elsewhere? Or have I set something up wrong? I've placed the nwchem 5.0 install in the same place as my 4.7 (working) install was: /usr/local/nwchem Any advice gratefully received. Anna Croft -- ____________________________________ Dr Anna K. Croft Biological Reaction Mechanisms School of Chemistry tel/ffon : +44 (0)1248 382391 University of Wales, Bangor fax/ffacs : +44 (0)1248 370528 Bangor, Gwynedd, LL57 2UW email: a.k.croft@bangor.ac.uk United Kingdom http://www.chemistry.bangor.ac.uk/akc -- Gall y neges e-bost hon, ac unrhyw atodiadau a anfonwyd gyda hi, gynnwys deunydd cyfrinachol ac wedi eu bwriadu i'w defnyddio'n unig gan y sawl y cawsant eu cyfeirio ato (atynt). Os ydych wedi derbyn y neges e-bost hon trwy gamgymeriad, rhowch wybod i'r anfonwr ar unwaith a dilëwch y neges. Os na fwriadwyd anfon y neges atoch chi, rhaid i chi beidio â defnyddio, cadw neu ddatgelu unrhyw wybodaeth a gynhwysir ynddi. Mae unrhyw farn neu safbwynt yn eiddo i'r sawl a'i hanfonodd yn unig ac nid yw o anghenraid yn cynrychioli barn Prifysgol Cymru, Bangor. Nid yw Prifysgol Cymru, Bangor yn gwarantu bod y neges e-bost hon neu unrhyw atodiadau yn rhydd rhag firysau neu 100% yn ddiogel. Oni bai fod hyn wedi ei ddatgan yn uniongyrchol yn nhestun yr e-bost, nid bwriad y neges e-bost hon yw ffurfio contract rhwymol - mae rhestr o lofnodwyr awdurdodedig ar gael o Swyddfa Cyllid Prifysgol Cymru, Bangor. www.bangor.ac.uk This email and any attachments may contain confidential material and is solely for the use of the intended recipient(s). If you have received this email in error, please notify the sender immediately and delete this email. If you are not the intended recipient(s), you must not use, retain or disclose any information contained in this email. Any views or opinions are solely those of the sender and do not necessarily represent those of the University of Wales, Bangor. The University of Wales, Bangor does not guarantee that this email or any attachments are free from viruses or 100% secure. Unless expressly stated in the body of the text of the email, this email is not intended to form a binding contract - a list of authorised signatories is available from the University of Wales, Bangor Finance Office. www.bangor.ac.uk