[Wien] Gentoo install

[Michael Gurnett]

Thanks for the files. Are you using a 2.4 or a 2.6 kernel? Which one would
you recommend.

Michael

-----Original Message-----
From: Michael Ryan Hansen <mrh at chem.au.dk>
To: WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
Date: Tue, 14 Jun 2005 13:34:08 +0200
Subject: Re: [Wien] Gentoo install

> On (14/06/05 12:01), Michael Gurnett wrote:
> 
> > I'm trying to set up gentoo on the cluster, due to some problems
> > that eem to be occuring with Lineox 4. However, I cannot seem to
> > install the intel compiler (7, 8 or 9). I saw that some people on
> > the list were using Gentoo. Does anyone know how to get ifort and
> > mkl working under Gentoo.  Any help would be really appreciated.
> 
> I am running WIEN2k_05 on a computer with Gentoo installed. The
> compiler I use is ifc 7.1 and the math libs are mkl 7.2. I have
> customized two ebuilds that works for me (attached). These should be
> installed in a local portage (eg. /usr/local/portage/, see below) and
> your make.conf file should include a line like
> 
> PORTDIR_OVERLAY=/usr/local/portage
> 
> In PORTAGE_OVERLAY create the dirs:
> 
> dev-lang/ifc and sci-libs/mkl
> 
> and put the ebuilds here. The mkl ebuild must be be edited so it
> contains the version of mkl you want to use
> (RPMFILE=you-version.rpm). Make a digest in each of the above
> mentioned dirs 
> 
> ebuild name.ebuild digest
> 
> Put your license files in /opt/intel/licenses/. For the mkl libs you
> must download the file yourself from Intel - extract the rpm file and
> put it in /usr/portage/distfiles/. The installation of ifc is simply
> installed the normal Gentoo way (eg. emerge ifc -va, notice that there
> should appear and overlay dir below). Add the following lines (if they
> don't already exist) to /etc/profile
> 
> export INTEL_LICENSE_FILE=/opt/intel/licenses
> export LD_LIBRARY_PATH=/opt/intel/mklXXX/lib/32:$LD_LIBRARY_PATH
> 
> My OPTIONS file for WIEN2k_05 looks like this
> 
> current:FOPT:-FR -mp -w
> current:FPOPT:-FR -mp -w
> current:LDFLAGS:-L/opt/intel/mklXXX/lib/32 -Vaxlib -i_dynamic
> current:DPARALLEL:'-DParallel'
> current:R_LIBS:-lmkl_lapack -lmkl_p4 -lguide -lpthread
> current:RP_LIBS:-L /usr/local/SCALAPACK -L /usr/local/BLACS/LIB -lpblas
> -lredist -ltools -lscalapack -lfblacs -lblacs -lmpi
> 
> Hope this helps. I look forward to hear whether or not this works on a
> cluster of computers.
> 
> Michael
> 
> --
> Michael Ryan Hansen
> MSc, PhD stud.
> Department of Chemistry
> University of Aarhus 
> Langelandsgade 140
> 8000 Aarhus C, Denmark
> 
> Office: +045 89 42 38 71
> Home:   +045 28 78 56 54
> email: mrh at chem.au.dk
> 
> 
> 
> 
>