From owner-nwchem-users@emsl.pnl.gov Tue Mar 28 03:45:36 2006 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.13.6/8.13.6) with ESMTP id k2SBjaBC010989 for ; Tue, 28 Mar 2006 03:45:36 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.6/8.13.6/Submit) id k2SBjZqf010988 for nwchem-users-outgoing-0915; Tue, 28 Mar 2006 03:45:35 -0800 (PST) Date: Tue, 28 Mar 2006 13:45:29 +0200 From: Paul Fleurat-Lessard Subject: Re: [NWCHEM] Nwchem 4.7 Compilation with IFC problems In-reply-to: <4428EC74.6030804@klingon.uab.es> To: marc@klingon.uab.es Cc: nwchem-users@emsl.pnl.gov Reply-to: Paul.Fleurat-Lessard@ens-lyon.fr Message-id: <442921D9.3060800@ens-lyon.fr> MIME-version: 1.0 Content-type: text/plain; charset=ISO-8859-1; format=flowed User-Agent: Thunderbird 1.5 (X11/20051201) X-Virus-Scanned: by amavisd-new-20030616-p10 (Debian) at ens-lyon.fr References: <4428EC74.6030804@klingon.uab.es> Content-Transfer-Encoding: 8bit X-MIME-Autoconverted: from QUOTED-PRINTABLE to 8bit by odyssey.emsl.pnl.gov id k2SBjZvS010985 Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Dear Marc, i think that you have to add the -Vaxlib option to ifort (ifc is now called ifort...) Regards, Paul. Marc Noguera a écrit : > Dear list, > I am having a problem compiling NWCHEM version 4.7 for my opteron > machine with intel fortran compiler. > I am usin Intel fortran compiler v 9.0 with 64 bit extensions on a > x86_64 machine. Although precompiled binaries for this arch exist and > work for my system I intend to compile binaries to execute NWchem in > parallel in this cluster using MPI and infiniband connections. First > step for me is to try to compile non-MPI binaries. > I have followed compilation instructions, which have worked for GNU > compiler on another 32 bit machine. However, on the opteron system > compilation leads to the following error. > Any advice will be appreciated > Thanks in advance > Marc > > Compilation error: > /opt/intel/fce/9.0/bin/ifc -i8 -g > -L/home/marc/soft/nwchem/MYnwchem-47-LINUX-IFCMPI/nwchem-4.7/lib/LINUX64 > -L/home/marc/soft/nwchem/MYnwchem-47-LINUX-IFCMPI/nwchem-4.7/src/tools/lib/LINUX64 > -o > /home/marc/soft/nwchem/MYnwchem-47-LINUX-IFCMPI/nwchem-4.7/bin/LINUX64/nwchem > nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints > -lstepper -ldriver -ldftgrad -lnwdft -lgradients -lcphf -lesp -lddscf > -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lnwints -lprepar > -lnwmd -lnwpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze > -lqhop -lpfft -ldplot -ldrdy -lqmmm -lqmd -letrans -ltddft -ltce -lcons > -lperfm -lnwcutil -lpario -lglobal -lma -lpeigs -lperfm -lcons > -lnwcutil -llapack -lblas -larmci -ltcgmsg ifc: warning: The Intel > Fortran driver is now named ifort. You can suppress this message with > '-quiet' > IPO Error: unresolved : xargv > Referenced in libtcgmsg.a(pbeginf.o) > IPO Error: unresolved : xargc > Referenced in libtcgmsg.a(pbeginf.o) > /home/marc/soft/nwchem/MYnwchem-47-LINUX-IFCMPI/nwchem-4.7/src/tools/lib/LINUX64/libtcgmsg.a(pbeginf.o)(.text+0x7): > In function `pbeginf_': > : undefined reference to `xargv' > /home/marc/soft/nwchem/MYnwchem-47-LINUX-IFCMPI/nwchem-4.7/src/tools/lib/LINUX64/libtcgmsg.a(pbeginf.o)(.text+0xd): > In function `pbeginf_': > : undefined reference to `xargc' > make: *** [all] Error 1 > > -- Fleurat-Lessard Paul, Lecturer e-mail: Paul.Fleurat-Lessard@ens-lyon.fr Laboratoire de Chimie Ecole Normale Supérieure de Lyon Tel: + 33 (0)4 72 72 81 54 46, Allée d'Italie Fax: + 33 (0)4 72 72 88 60 69364 Lyon Cedex 07