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When you do in a terminal:<br>
<br>
<font color="#000099">ldd $WIENROOT/lapw0</font><br>
<br>
With the error, it is expected to return a list with:<br>
<br>
<font color="#000099">libmkl_intel_lp64.so => not found</font><br>
<br>
This would be unusual, since the LD_LIBRARY_PATH is set and the
libmkl_intel_lp64.so exists as you previously reported. <br>
<br>
What I can suggest is to try the following in a terminal.<br>
<br>
<font color="#000099">cd /etc/ld.so.conf.d</font><br>
<br>
Create your own conf file (such as <font color="#000099">wien2k.conf</font>)
in that directory containing the mkl library path (<font
color="#000099">/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64</font>)
with your preferred text editor. <br>
<br>
For example:<br>
--------------------------<br>
<font color="#000099">sudo vi wien2k.conf (run 'vi' text editor in
terminal)<br>
<font color="#000000">i (press key to insert text)</font><br>
</font><font color="#000099">/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64
(type text in file wien2k.conf)<br>
</font><font color="#000000">ESC (press key to return to command
mode) <br>
</font><font color="#000000">:wq (type vi command for save and quit)<br>
</font><font color="#000000">Enter (press key)</font><br>
-------------------------<br>
<br>
Load the conf file:<br>
<br>
<font color="#000099">sudo ldconfig</font><br>
<br>
Then, check if the error is gone and "ldd $WIENROOT/lapw0" should
return in the list<br>
<br>
<font color="#000099">libmkl_intel_lp64.so =>
/opt/intel/composer_xe_2011_sp1.9.293/mkl/lib/intel64/libmkl_intel_lp64.so</font><br>
<br>
If this removes the error, it is likely due to the #366728
LD_LIBRARY_PATH bug mentioned in the Ubuntu Wiki:<br>
<br>
<a class="moz-txt-link-freetext" href="https://help.ubuntu.com/community/EnvironmentVariables">https://help.ubuntu.com/community/EnvironmentVariables</a><br>
<br>
On 5/23/2012 12:29 PM, Laurence Marks wrote:
<blockquote
cite="mid:CANkSMZCcnkt9HngQV893L8fzSHujaMgJwH0eSoWu2AgqM7kK8g@mail.gmail.com"
type="cite">
<pre wrap="">Also "ldd $WIENROOT/lapw1" is sometimes useful, particularly on remote
nodes. (Do "man ldd" for more information.)
On Wed, May 23, 2012 at 12:12 PM, Peter Blaha
<a class="moz-txt-link-rfc2396E" href="mailto:pblaha@theochem.tuwien.ac.at"><pblaha@theochem.tuwien.ac.at></a> wrote:
</pre>
<blockquote type="cite">
<blockquote type="cite">
<pre wrap="">I think the problem is not in w2web. Because I got the same error message while running in terminal also.
[root@localhost TiC]$ run_lapw -cc 0.0001 -NI
/home/james/wien2k/lapw0: error while loading shared libraries: libmkl_intel_lp64.so: cannot open shared object file: No such file or directory
> stop error
Would you please tell me the necessary files that are required for wien2k to run properly. Is it a problem in glibc?
</pre>
</blockquote>
<pre wrap="">
It is rather obvious which library you need: libmkl_intel_lp64.so
This file should be in a directory which you have in your LD_LIBRARY_PATH
Is it there ??? Is the library path set ??? (echo $LD_LIBRARY_PATH)
do a ls -als of all directories in this variable.
Alternatively, recompile WIen2k (siteconfig) with a linker-option -static-intel
It should the statically link the necessary libraries.
--
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: <a class="moz-txt-link-abbreviated" href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>
-----------------------------------------
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</pre>
</blockquote>
<pre wrap="">
</pre>
</blockquote>
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