From owner-nwchem-users@emsl.pnl.gov Mon Dec 10 10:36:30 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 lBAIaTVd016530 for ; Mon, 10 Dec 2007 10:36:30 -0800 (PST) Received: (from majordom@localhost) by odyssey.emsl.pnl.gov (8.14.1/8.14.1/Submit) id lBAIaT37016529 for nwchem-users-outgoing-0915; Mon, 10 Dec 2007 10:36:29 -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: 4.6 X-IronPort-Anti-Spam-Filtered: true X-IronPort-Anti-Spam-Result: AgAAAKMVXUfRVZK2kmdsb2JhbACCPDaMcwEBAQEHAgYp X-IronPort-AV: E=Sophos;i="4.23,277,1194249600"; d="scan'208";a="39679258" DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=gmail.com; s=gamma; h=domainkey-signature:received:received:message-id:date:from:to:subject:cc:in-reply-to:mime-version:content-type:references; bh=6lOQ8JUu8+bbH4yA5FDRQ8TwAS7y0VBmAObsrjwx0Sg=; b=m1wWxcsNt8UjPw50AtMQOo3S2u8kuw8Z1g9MpFLFTcqML0uXOp+itQZ+ADUYdnlHfkQUwXe4sqcejKkQN/qUC7UR3vI8JwWNy8I5CjpNZTYTecR/pevNFQG/QvC+dHgMn94mfmxkXPieZT+WUiNTgmC40/WNQNFjzoBGwg2OhiE= DomainKey-Signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=message-id:date:from:to:subject:cc:in-reply-to:mime-version:content-type:references; b=G8Qo7CU3qd60EUsgINrViUlDKy6y/M40CAVw4TDO4Ao2DCScqxo1fyvEY07389TJIy/uSTMYOWDmPFiMkkB4wYUd6y5O/4kIPxBibZMUaSsK+3IQ/BnMu2xY0NozGXR8E4x2y9Uf1NhLt74K0LAp5NJE55LyF4RokKrz37zoN3s= Message-ID: Date: Mon, 10 Dec 2007 16:36:26 -0200 From: Denis To: "Dunyou Wang" Subject: Re: [NWCHEM] Error compiling - ld: cannot find -lpario Cc: nwchem-users@emsl.pnl.gov In-Reply-To: <475D8023.6020604@pnl.gov> MIME-Version: 1.0 Content-Type: multipart/alternative; boundary="----=_Part_23226_19674071.1197311786137" References: <475D8023.6020604@pnl.gov> Sender: owner-nwchem-users@emsl.pnl.gov Precedence: bulk ------=_Part_23226_19674071.1197311786137 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline Hello Dunyou, I've followed what u suggested, and have set the FC compiler. -bash-3.00$ echo $FC /opt/intel/fce/9.1.043/bin/ifort Now, I'm encountering this problem: ns -lpspw -ltddft -ltce -lbq -lcons -lperfm -lneb -lnwcutil -lpario -lglobal -lma -lpeigs -lperfm -lcons -lbq -lnwcutil -L/opt/intel/mkl/9.0/lib/64 -lmkl_lapack -lmkl_ipf -lguide -llapack -lblas -L/opt/intel/mkl/9.0/lib/64 -lmkl_lapack -lmkl_ipf -lguide -llapack -lblas -larmci -L/opt/mpich/gnu/lib -ltcgmsg-mpi -lmpich /opt/intel/mkl/9.0/lib/64/libmkl_lapack.a: could not read symbols: Bad value make: *** [all] Error 1 I'd made a make clean and make realclean before try again. Any new suggestions? Thanks 2007/12/10, Dunyou Wang : > > Hi Denis, > > Please don't use a 32-bit intel compiler to compile NWChem for a LINUX64 > target. > Your set-up "export FC=/opt/intel/fc/9.1.043/bin/ifort " shows you are > using a 32 bit compiler to compile the source code on a 64 bit machine. > You should find the 64-bit Intel compiler (if you have it installed) under > your > /opt/intel/fce/xxxxx according your setup here. > > Best > Dunyou > > > > > Denis wrote: > > Dears, > > > > I'm Trying to compile nwchem in a Rocks - Cluster (running CentOS) > > based on Xeon 64 processors. > > > > I'm compiling with these flags: > > export NWCHEM_TOP=~denismpa/nwchem-5.0 > > export NWCHEM_MODULES=all > > export NWCHEM_TARGET=LINUX64 > > export LARGE_FILES=TRUE > > export USE_MPI=y > > export MPI_LIB=/opt/mpich/gnu/lib > > export MPI_INCLUDE=/opt/mpich/gnu/include > > export LIBMPI='-lmpich' > > export BLASOPT='-L/opt/intel/mkl/9.0/lib/64 -lmkl_lapack -lmkl_ipf > > -lguide' > > export KMP_LIBRARY=serial > > export OMP_NUM_THREADS=1 > > export FC=/opt/intel/fc/9.1.043/bin/ifort > > > > > > But I'm receiving an error like this: > > > > ntel/mkl/9.0/lib/64 -lmkl_lapack -lmkl_ipf -lguide -llapack -lblas > > -larmci -L/opt/mpich/gnu/lib -ltcgmsg-mpi -lmpich > > ld: skipping incompatible > > /home/denismpa/nwchem-5.0/src/tools/lib/LINUX64/libpario.a when > > searching for -lpario > > ld: cannot find -lpario > > make: *** [all] Error 1 > > > > Can someone help me? > > > > Thanks and regards. > > > > Denis Anjos. > ------=_Part_23226_19674071.1197311786137 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: 7bit Content-Disposition: inline
Hello Dunyou,
 
I've followed what u suggested, and have set the FC compiler.
-bash-3.00$ echo $FC
/opt/intel/fce/9.1.043/bin/ifort
 
Now, I'm encountering this problem:
 
ns -lpspw -ltddft -ltce -lbq -lcons -lperfm -lneb -lnwcutil -lpario -lglobal -lma -lpeigs -lperfm -lcons -lbq -lnwcutil -L/opt/intel/mkl/9.0/lib/64 -lmkl_lapack -lmkl_ipf -lguide -llapack -lblas -L/opt/intel/mkl/9.0/lib/64 -lmkl_lapack -lmkl_ipf -lguide  -llapack  -lblas  -larmci -L/opt/mpich/gnu/lib  -ltcgmsg-mpi -lmpich
/opt/intel/mkl/9.0/lib/64/libmkl_lapack.a: could not read symbols: Bad value
make: *** [all] Error 1
 
 
I'd made a make clean and make realclean before try again.
 
 
Any new suggestions?
 
Thanks

 
2007/12/10, Dunyou Wang <dunyou.wang@pnl.gov>:
Hi Denis,

Please don't use a 32-bit intel compiler to compile NWChem for a LINUX64
target.
Your set-up "export FC=/opt/intel/fc/9.1.043/bin/ifort " shows you are
using a 32 bit compiler to compile the source code on a 64 bit machine.
You should find the 64-bit Intel compiler (if you have it installed) under your
/opt/intel/fce/xxxxx  according your setup here.

Best
Dunyou




Denis wrote:
> Dears,
>
> I'm Trying to compile nwchem in a Rocks - Cluster (running CentOS)
> based on Xeon 64 processors.
>
> I'm compiling with these flags:
> export NWCHEM_TOP=~denismpa/nwchem-5.0
> export NWCHEM_MODULES=all
> export NWCHEM_TARGET=LINUX64
> export LARGE_FILES=TRUE
> export USE_MPI=y
> export MPI_LIB=/opt/mpich/gnu/lib
> export MPI_INCLUDE=/opt/mpich/gnu/include
> export LIBMPI='-lmpich'
> export BLASOPT='-L/opt/intel/mkl/9.0/lib/64 -lmkl_lapack -lmkl_ipf
> -lguide'
> export KMP_LIBRARY=serial
> export OMP_NUM_THREADS=1
> export FC=/opt/intel/fc/9.1.043/bin/ifort
>
>
> But I'm receiving an error like this:
>
> ntel/mkl/9.0/lib/64 -lmkl_lapack -lmkl_ipf -lguide  -llapack  -lblas
> -larmci -L/opt/mpich/gnu/lib  -ltcgmsg-mpi -lmpich
> ld: skipping incompatible
> /home/denismpa/nwchem-5.0/src/tools/lib/LINUX64/libpario.a when
> searching for -lpario
> ld: cannot find -lpario
> make: *** [all] Error 1
>
> Can someone help me?
>
> Thanks and regards.
>
> Denis Anjos.

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