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Dear Gavin Abo, SANJAY KUMAR SINGH and WIEN2k users,<br>
<br>
The reference<br>
<a class="moz-txt-link-freetext"
href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015788.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015788.html</a><br>
<br>
that I have wrote is for 64-bit version, and if one want to install
on 32-bit system,<br>
use gcc instead of icc, or it would be failed.<br>
<br>
Please note that the calculation itself give correct results, but
only 1 core is used for <br>
the calculation. At present I have no idea how to activate the all
cores.<br>
<br>
Best,<br>
Gaku Eguchi<br>
<br>
<br>
(12/01/18 15:48), Gavin Abo wrote:
<blockquote cite="mid:4F166B31.8050200@crimson.ua.edu" type="cite">
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Update 3 rather than 1 is suggested.<br>
<br>
For update 3 (or update 1) installed in the default location, set
the environmental variables for ifort and mkl with the following
line in your .bashrc for 64-bit:<br>
<br>
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href="file:///C:%5CUsers%5CGAVINA%7E1%5CAppData%5CLocal%5CTemp%5Cmsohtmlclip1%5C01%5Cclip_filelist.xml">
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</style>source /opt/intel/composerxe-2011/bin/compilervars.sh intel64<br>
<br>
Only if you are using Intel's icc compiler (instead of an
alternative like gcc), then you will have to find the necessary
script file somewhere under "/opt/intel" and source it in the
.bashrc as well.<br>
<br>
For "specify a system", use "LINUX (Intel ifort 12.0 compiler +
mkl)" for Composer XE 2011 when running ./siteconfig. Then, the
default compiler settings that Wien2k suggests should work.<br>
<br>
If one has time and are willing to figure it out on their own, one
should be able to compile blas and lapack found in the interfaces
folder (e.g., /opt/intel/composerxe-2011.3.174/mkl/interfaces/)
for their system, then modify the compiler settings to use them
rather than letting it use the prebuilt ones by Intel.<br>
<br>
Of note, a quote from <a moz-do-not-send="true"
class="moz-txt-link-freetext"
href="http://www.ehow.com/about_6720668_32-bit-vs_-64-bit.html:">http://www.ehow.com/about_6720668_32-bit-vs_-64-bit.html:</a><br>
<br>
"If you have less than 4 GB of RAM, moving to 64-bit could
actually decrease system performance."<br>
<br>
Seeing now that you only have 3 GB of RAM, these means you "might"
benefit from using Ubuntu 10.04 LTS 32 bit.<br>
<br>
I suggest you reference the following Ubuntu 11.04 install
instructions, installing on Ubuntu 10.04 should be very similar
(if you had checked or followed the mailing list you should have
found this):<br>
<br>
<a moz-do-not-send="true" class="moz-txt-link-freetext"
href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015788.html">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2011-November/015788.html</a><br>
-Correction: 4-3. gunzip *.gz<br>
<br>
On 1/17/2012 9:11 PM, SANJAY KUMAR SINGH wrote:
<blockquote
cite="mid:CAB7aGOZax7gSxdd-K96-yDz-gmQd6g=dVXUC-BrD6_fcAF2Rkw@mail.gmail.com"
type="cite">Respected Prof. Peter Blaha and all wien2k users,
<div><br>
</div>
<div>I am installing wien2k on Ubuntu 10.04 LTS 64 bit.
The FORTRAN composer XE 2011 update 1 has been installed.</div>
<div>I am installing on Dell inspiron N4110 Intel((R) core(TM)
i3 2330M CPU @ 2.2 GHz 3 GB RAM 64 bit operating system.</div>
<div>Can any one guide me to give correct settings in .bashrc
and settings in compilations.</div>
<div>I am waiting for your kind response.</div>
<div> I will be very grateful to you all.</div>
<div><br>
</div>
<div>With Regards,<br>
<div><br>
</div>
<div><br clear="all">
<div><br>
</div>
<span style="color:rgb(204,0,0)"><i><font face="arial
black,sans-serif">SANJAY KUMAR SINGH</font></i></span>
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<pre class="moz-signature" cols="72">--
------------------------------------------------------------------------
Gaku Eguchi
Department of Physics, Graduate School of Science, Kyoto University
Oiwake-cho, Kitashirakawa, Sakyou-ku, Kyoto 606-8502, Japan
Laboratory TEL : +81-75-753-3744
E-mail : <a class="moz-txt-link-abbreviated" href="mailto:geguchi@scphys.kyoto-u.ac.jp">geguchi@scphys.kyoto-u.ac.jp</a>
<a class="moz-txt-link-freetext" href="http://www.ss.scphys.kyoto-u.ac.jp/index.html.en">http://www.ss.scphys.kyoto-u.ac.jp/index.html.en</a>
------------------------------------------------------------------------</pre>
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