<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
</head>
<body text="#000000" bgcolor="#FFFFFF">
Seems a bit odd. Usually, if you see that error, it first occurs
earlier during initialization (i.e., dstart in init_lapw) or during
a lapw step during the scf calculation [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04721.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg04721.html</a>
].<br>
<br>
It depends a bit on how you configure and use your system.<br>
<br>
First, I would check that the libmkl_intel_lp64.so exists in my
Intel ifort installation:<br>
username@computername:~/Desktop$ ls -l
/opt/intel/mkl/lib/intel64/libmkl_intel_lp64.so<br>
-rwxr-xr-x 1 root root 6797610 Oct 11 2013
/opt/intel/mkl/lib/intel64/libmkl_intel_lp64.so<br>
<br>
Next, I would locate where my compilervars.sh exists in my Intel
ifort installation:<br>
<br>
username@computername:~/Desktop$ ls -l
/opt/intel/bin/compilervars.sh<br>
lrwxrwxrwx 1 root root 33 Feb 20 2016
/opt/intel/bin/compilervars.sh ->
../composerxe/bin/compilervars.sh<br>
<br>
Then, I would check if my source line exists and is correct in my
.bashrc file [
<a class="moz-txt-link-freetext" href="https://software.intel.com/en-us/articles/setting-up-the-build-environment-for-using-intel-c-or-fortran-compilers">https://software.intel.com/en-us/articles/setting-up-the-build-environment-for-using-intel-c-or-fortran-compilers</a>
]:<br>
<br>
username@computername:~/Desktop$ grep "compilervars.sh" ~/.bashrc<br>
source /opt/intel/bin/compilervars.sh intel64<br>
<br>
Note: The above paths might be different and could change depending
on the Intel ifort version you are using and were you set it to be
installed.<br>
<br>
There might be a few old systems out there were the .bashrc doesn't
work, such that a conf file might need to be used instead [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08016.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08016.html</a>
].<br>
<br>
Following that, I would close and open a new terminal, or restart
the system, to reload the new .bashrc settings [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16577.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16577.html</a>
].<br>
<br>
If using a queuing system, I would check the queuing system's
documentation and internet to see if my job script needs anything
special to propagate my environmental variables out to the nodes.
For example, PBS might need a directive command added to the job
script [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16338.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16338.html</a>
]: #PBS -V<br>
<br>
If using w2web, I would either kill w2web, or restart the system,
then execute w2web again to reload the new .bashrc settings for it [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07979.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07979.html</a>
].<br>
<br>
Another possible solution should be to use static instead of dynamic
linking:<br>
<br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08510.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08510.html</a><br>
<a class="moz-txt-link-freetext" href="http://www.ghfecher.de/Fecher_CompileIntel.pdf">http://www.ghfecher.de/Fecher_CompileIntel.pdf</a><br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16548.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16548.html</a><br>
<br>
However, this currently may be more difficult to do with the latest
WIEN2k 17.1 version:<br>
<br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16669.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16669.html</a><br>
<br>
<div class="moz-cite-prefix">On 11/5/2017 1:39 AM, Sri Muralikrishna
Molli, Physics, SSSIHL wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CAB=U7B0rhrCUse52YpfxksmAuvL6o9Ocf11jgmzq_AOPstxNtQ@mail.gmail.com">
<div dir="ltr">
<div>Dear All</div>
<div><br>
</div>
<div>While running a band structure calculation, I got the
following error:</div>
<div><br>
</div>
<i>dstart: error while loading shared libraries:
libmkl_intel_lp64.so: cannot open shared object file: No such
file or directory</i>
<div><br>
</div>
<div>Could someone help me to resolve this issue?</div>
<div><br>
</div>
<div>Thanks and Regards<br clear="all">
<div><br>
</div>
<div class="gmail_signature">
<div dir="ltr">
<div dir="ltr">Muralikrishna M</div>
</div>
</div>
</div>
</div>
</blockquote>
</body>
</html>