Dear Dr. P. Blaha and Wien users,<br><br> We have installed Wien2k to our PC clusters
(IBM) as a normal user under a CentOS5. We went through the
siteconfig_lapw, userconfig_lapw and initiation of w2web interface and
got no error messages. However, when we performed the [ run SCF ]
action, the calculation was not carried. We obtained a message as
following:<br>
<pre>hup: Command not found.<br>Invalid null command.<br>/home/raynold/exefiles/WIEN2k/lapw0: error while loading shared libraries: libmkl_lapack64.so: cannot open shared object file: No such file or directory<br><br>> stop error<br>
<br></pre>It seems to be an simple library refering problem, but we don't know where to modify in the Wien2k.<br>Can you kindly remind us what we should do? Your help will be highly appreciated.<br><br>GuoRuei, Hu<br>
Physics, NCU Taiwan