From owner-nwchem-users@emsl.pnl.gov Wed Nov 21 07:20:45 2007 Received: from odyssey.emsl.pnl.gov (localhost [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id lALFKiKK029208 for ; Wed, 21 Nov 2007 07:20:45 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id lALFKiGB029207 for nwchem-users-outgoing-0915; Wed, 21 Nov 2007 07:20:44 -0800 (PST) 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: 5.9 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAAAvbQ0eArAiwn2dsb2JhbACPNQEBAQEHBAYJCBg X-IronPort-AV: E=Sophos;i="4.21,447,1188802800"; d="scan'208";a="57223858" X-IronPort-AV: i="4.21,447,1188792000"; d="scan'208"; a="749357738:sNHT67678002" Mime-Version: 1.0 (Apple Message framework v752.3) In-Reply-To: <96f4bb620711210713g1ffdc526j42baf46179ae8888@mail.gmail.com> References: <754A2033-8B39-4561-8B18-A622DE6AEF43@vcu.edu> <200711202307.12637.sassmannshausen@tugraz.at> <47435D82.4000002@pnl.gov> <96f4bb620711210713g1ffdc526j42baf46179ae8888@mail.gmail.com> Message-Id: <81FC794D-8CFC-429B-BDD6-B8538C82F6C3@vcu.edu> From: John C Hackett Subject: Re: [NWCHEM] NWChem on Intel Mac Date: Wed, 21 Nov 2007 10:20:35 -0500 To: nwchem-users@emsl.pnl.gov X-Mailer: Apple Mail (2.752.3) X-MIMETrack: Itemize by SMTP Server on CEDAR/VCU(Release 7.0.3|September 26, 2007) at 11/21/2007 10:20:40 AM, Serialize by Router on CEDAR/VCU(Release 7.0.3|September 26, 2007) at 11/21/2007 10:20:41 AM, Serialize complete at 11/21/2007 10:20:41 AM Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=US-ASCII; delsp=yes; format=flowed Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Hi Jeff- v9.1 of ifort and icc gives the result that I previously posted. JCH On Nov 21, 2007, at 10:13 AM, Jeff Hammond wrote: > John, > > Do you have ICC as well? It seems that the GCC and IFORT libraries > define a number of duplicate symbols, so perhaps using ICC with IFORT > will fix the problem. If that isn't an option, I'm sure Dunyou or one > of the NWChem MAC experts will know how to make the linker get the > right symbols. > > Googling led me here (http://www.ccp4.ac.uk/problems/mac_4_2.php) and > I found this: > > =========================================== > Bug: ccp4mapwish fails to link > Effect: > /usr/bin/ld: Undefined symbols: > _f__xargc > _f__xargv > make: *** [ccp4mapwish] Error 1 > > System: MacOSX 10.0, 10.1(?), ccp4 4.2.x > Report date: 01/05/02 > Status: mapslicer rewritten without fortran dependencies for v5.0 > Fix: for 4.2, none as yet. Portland Group discusses this from the > point of view of mixed g77 pgf77 compilation (here). > =========================================== > > By the way, what happens if you exclude SystemStubs when linking? > > I wonder if there is a way to turn off automatic linking of the > GCC/Intel libraries and link them by hand. However, this may be > highly non-trivial. > > Jeff > > On 11/21/07, John C Hackett wrote: >> Thank you for your suggestions. I checked Intel and 10.1.006 is the >> latest version of the compiler for Mac OSX. I went back and tried the >> latest version 9 compilers and libraries. This seems to have resolved >> the problem with sym_sh_pair.F, but a new problem has arisen: >> >> ifort -align -mp1 -w -g -vec_report3 -O0 -g -L/Applications/ >> nwchem-5.0//lib/MACX -L/Applications/nwchem-5.0//src/tools/lib/ >> MACX - >> o /Applications/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 - >> ltcgmsg -lSystemStubs >> ld: warning multiple definitions of symbol _floor >> /opt/intel/fc/9.1.041/lib/libimf.a(floor_stub.o) definition of _floor >> in section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (s_floor.o) definition of _floor >> ld: warning multiple definitions of symbol _atan >> /opt/intel/fc/9.1.041/lib/libimf.a(atan_stub.o) definition of _atan >> in section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_arcsincostan.o) definition of _atan >> ld: warning multiple definitions of symbol _acos >> /opt/intel/fc/9.1.041/lib/libimf.a(acos_stub.o) definition of _acos >> in section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_arcsincostan.o) definition of _acos >> ld: warning multiple definitions of symbol _sin >> /opt/intel/fc/9.1.041/lib/libimf.a(sin_stub.o) definition of _sin in >> section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_sincostan.o) definition of _sin >> ld: warning multiple definitions of symbol _cos >> /opt/intel/fc/9.1.041/lib/libimf.a(cos_stub.o) definition of _cos in >> section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_sincostan.o) definition of _cos >> ld: warning multiple definitions of symbol _exp >> /opt/intel/fc/9.1.041/lib/libimf.a(exp_stub.o) definition of _exp in >> section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_exp.o) definition of _exp >> ld: warning multiple definitions of symbol _log10 >> /opt/intel/fc/9.1.041/lib/libimf.a(log10_stub.o) definition of _log10 >> in section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_log.o) definition of _log10 >> ld: warning multiple definitions of symbol _log >> /opt/intel/fc/9.1.041/lib/libimf.a(log_stub.o) definition of _log in >> section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_log.o) definition of _log >> ld: warning multiple definitions of symbol _cbrt >> /opt/intel/fc/9.1.041/lib/libimf.a(cbrt_stub.o) definition of _cbrt >> in section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_power.o) definition of _cbrt >> ld: warning multiple definitions of symbol _pow >> /opt/intel/fc/9.1.041/lib/libimf.a(pow_stub.o) definition of _pow in >> section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_power.o) definition of _pow >> ld: warning multiple definitions of symbol _powf >> /opt/intel/fc/9.1.041/lib/libimf.a(powf_stub.o) definition of _powf >> in section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib >> (xmm_power.o) definition of _powf >> ld: warning multiple definitions of symbol _tanh >> /opt/intel/fc/9.1.041/lib/libimf.a(tanh_stub.o) definition of _tanh >> in section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib(s_tanh.o) >> definition of _tanh >> ld: warning multiple definitions of symbol _rint >> /opt/intel/fc/9.1.041/lib/libimf.a(rint.o) definition of _rint in >> section (__TEXT,__text) >> /usr/lib/gcc/i686-apple-darwin8/4.0.1/../../..//libdl.dylib(s_rint.o) >> definition of _rint >> ld: warning multiple definitions of symbol _exp2 >> /opt/intel/fc/9.1.041/lib/libimf.a(exp2_stub.o) definition of _exp2 >> in section (__TEXT,__text) >> /usr/lib/system/libmathCommon.A.dylib(single module) definition of >> _exp2 >> ld: Undefined symbols: >> _f__xargc >> _f__xargv >> make: *** [all] Error 1