From owner-nwchem-users@emsl.pnl.gov Sun Nov 30 02:22:18 2008 Received: from odyssey.emsl.pnl.gov (localhost.pnl.gov [127.0.0.1]) by odyssey.emsl.pnl.gov (8.14.1/8.14.1) with ESMTP id mAUAMHCs011436 for ; Sun, 30 Nov 2008 02:22:18 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id mAUAMH9e011435 for nwchem-users-outgoing-0915; Sun, 30 Nov 2008 02:22:17 -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: 5.6 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: Aq8BAGL3MUnKJkAQnGdsb2JhbACSIIEoAQEBAQEICwgJEa88hQaEaYJ9 X-IronPort-AV: E=Sophos;i="4.33,689,1220252400"; d="scan'208";a="60697216" X-FD: True Message-ID: <428040580.03366@ustc.edu.cn> X-WebMAIL-MUA: [211.86.151.117] From: "WeiWei Zhang" To: nwchem-users@emsl.pnl.gov Date: Sun, 30 Nov 2008 18:23:00 +0800 Reply-To: "WeiWei Zhang" X-Priority: 3 Subject: [NWCHEM] Problem while installing NWChem Content-Type: text/plain Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk Dear All, I got an error message while installing NWChem 5.1: ifort -align -mp1 -w -g -vec_report3 -g -Wl,--export-dynamic -L/home/zhangwei/software/nwchem/nwchem-5.1/lib/LINUX -L/home/zhangwei/software/nwchem/nwchem-5.1/src/tools/lib/LINUX -o /home/zhangwei/software/nwchem/nwchem-5.1/bin/LINUX/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 -ldplot -lvscf -letrans -ltddft -ltce -lbq -lcons -ltransport -lnwcutil -lpario -lglobal -lma -lpeigs -lperfm -lcons -lbq -lnwcutil -llapack -lblas -llapack -lblas -larmci -ltcgmsg -lsvml ld: cannot find -lnwctask make: *** [all] Error 1 The system is redhat 9.0 and the CPU is AMD64. And the environmental variables for the compilation are: export TCGRSH="/usr/bin/ssh" export LIB_DEFINES="-DDFLT_TOT_MEM=268435456" export LARGE_FILES=TRUE export NWCHEM_TOP=/home/zhangwei/software/nwchem/nwchem-5.1 export NWCHEM_TARGET=LINUX export NWCHEM_MODULES=all export FC=ifc Thank you for your attention! best regards! wei zhang