From owner-nwchem-users@emsl.pnl.gov Mon Jul 16 09:35:38 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 l6GGZbjj017845 for ; Mon, 16 Jul 2007 09:35:38 -0700 (PDT) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.13.8/8.13.8/Submit) id l6GGZboN017844 for nwchem-users-outgoing-0915; Mon, 16 Jul 2007 09:35:37 -0700 (PDT) X-Authentication-Warning: odyssey.emsl.pnl.gov: majordom set sender to owner-nwchem-users@emsl.pnl.gov using -f X-Possible-Spoof: True X-IronPort-AV: E=Sophos;i="4.16,542,1175497200"; d="scan'208";a="25936883" Message-ID: <469B9E55.4010007@pnl.gov> Date: Mon, 16 Jul 2007 09:35:33 -0700 From: Dunyou Wang User-Agent: Thunderbird 2.0.0.4 (X11/20070604) MIME-Version: 1.0 To: Aaron Thompson CC: nwchem-users@emsl.pnl.gov Subject: Re: [NWCHEM] Compiling on MACX with GCC and GFortran References: <110F84F9-E033-40F2-A161-4900A8315DFE@vanderbilt.edu> <4698076B.7050000@pnl.gov> In-Reply-To: Content-Type: text/plain; charset=US-ASCII Content-Transfer-Encoding: 7bit X-OriginalArrivalTime: 16 Jul 2007 16:35:33.0865 (UTC) FILETIME=[54CF7590:01C7C7C7] Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Aaron, It seems your left-over from your previous compilation might contaminate your current compilation. Using gcc-4.x compiler, gfortran translates iargc and etime to __gfortran_iargc and __gfortran_etime. So the _iargc and _etime_ are not supposed to be there if you use gcc-4.x version. They must have been left-over you didn't clean up when using the gcc wrapper compiler. So please go to $NWCHEM_TOP/src make realclean then do your usual compiling steps there. Cheers Dunyou Aaron Thompson wrote: > Thank you for the feedback, using the compilers directly instead of > the MPI wrapper took care of that problem. Unfortunately, another > problem has popped up at make concerning two undefined symbols: > /usr/local/bin/gfortran -g -L/Users/admin/Desktop/nwchem-5.0/lib/MACX > -L/Users/admin/Desktop/nwchem-5.0/src/tools/lib/MACX -o > /Users/admin/Desktop/nwchem-5.0/bin/MACX/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 -lvscf -lqmmm -lqmd -letrans -lpspw -ltddft -ltce -lbq > -lcons -lperfm -lneb -lnwcutil -lpario -lglobal -lma -lpeigs -lperfm > -lcons -lbq -lnwcutil -llapack -lblas -llapack -lblas -larmci > -L/usr/local/lammpi/lib -ltcgmsg-mpi -llammpio -llamf77mpi -lmpi -llam > -ldl -lSystemStubs > /usr/bin/ld: Undefined symbols: > _iargc_ > _etime_ > collect2: ld returned 1 exit status > make: *** [all] Error 1 > > Any ideas? > > Thank you! > > Aaron Thompson > Vanderbilt University > aaron.p.thompson@vanderbilt.edu > > > > On Jul 13, 2007, at 7:14 PM, Dunyou Wang wrote: > >> Hi Aaron, >> >> If you use gcc-4.x, the -lcc_dynamic is not needed and should not be >> linked. It seems that your gcc compiler wrapper might point to another >> version. Actually compiler wrappers won't be recognized in our >> makefile.h, so please don't use those wrappers. Instead, please just use >> : FC=gfortran CC=gcc and this will work. >> >> >> Hope this helps >> Dunyou Wang >> >> >> >> Aaron Thompson wrote: >>> Hello, >>> I'm trying to compile NWChem 5.0 for LAM-MPI with GCC 4.2 and GFortran >>> 4.2 on Mac G5s with Mac OS X 10.4. When running make, far into the >>> build, I get this error: >>> /usr/local/lammpi/bin/mpif77 -g >>> -L/Users/admin/Desktop/nwchem-5.0/lib/MACX >>> -L/Users/admin/Desktop/nwchem-5.0/src/tools/lib/MACX -o >>> /Users/admin/Desktop/nwchem-5.0/bin/MACX/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 -lvscf -lqmmm -lqmd -letrans -lpspw -ltddft -ltce -lbq >>> -lcons -lperfm -lneb -lnwcutil -lpario -lglobal -lma -lpeigs -lperfm >>> -lcons -lbq -lnwcutil -llapack -lblas -llapack -lblas -larmci >>> -L/usr/local/lammpi/lib -ltcgmsg-mpi -lmpi -lm -lcc_dynamic >>> -lSystemStubs >>> /usr/bin/ld: can't locate file for: -lcc_dynamic >>> collect2: ld returned 1 exit status >>> make: *** [all] Error 1 >>> >>> Can anyone tell me what is -lcc_dynamic and why can't it be found? >>> Here's how I run make: make FC=mpif77 CC=mpicc GCC4=y _GCC4=y >>> And how I run make configure: make nwchem_config NWCHEM_MODULES=all >>> FC=$FC CC=$CC GCC4=y _GCC4=y >>> >>> Any help at all would be much appreciated! >>> >>> Aaron Thompson >>> Vanderbilt University >>> aaron.p.thompson@vanderbilt.edu >>> >>> >> >