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    <p>Dear <span>Seong,</span></p>
    <p><span><br>
      </span></p>
    <p><span>are you using the excited state functionality? If this is
        not important, you can compile the code without the routines
        that use ARPACK. To do this, edit the file make.config and set<br>
      </span></p>
    <p><span><br>
      </span></p>
    <p><span>WITH_ARPACK := 0<br>
      </span></p>
    <br>
    then <br>
    <br>
    make disclean<br>
    make dftb+<br>
    <br>
    Alternatively, if you need this functionality to be present, the
    possibilities are either: <br>
    <br>
    1) Build a static arpack library and link against this (the .a form
    instead of .so)<br>
    or<br>
    <br>
    2) Get the shared library installed on the computation nodes, or add
    to your dynalic library path (see the discussion at
<a class="moz-txt-link-freetext" href="https://stackoverflow.com/questions/13428910/how-to-set-the-environmental-variable-ld-library-path-in-linux">https://stackoverflow.com/questions/13428910/how-to-set-the-environmental-variable-ld-library-path-in-linux</a>
    for example).<br>
    <br>
    Regards<br>
    <br>
    Ben<br>
    <br>
    <div class="moz-cite-prefix">On 23/06/17 16:20, 이인성 (화학과) wrote:<br>
    </div>
    <blockquote type="cite"
cite="mid:PS1PR02MB1611BDDDEBF8D569F19E3B6CE2D80@PS1PR02MB1611.apcprd02.prod.outlook.com">
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        <p>Hello, DFTB+ developers</p>
        <p><br>
        </p>
        <p>I have a problem when I run DFTB+ 1.3 version.</p>
        <p><br>
        </p>
        <p>When I use the provided binary, then it works well.</p>
        <p>However, my binary does not work in
          computational cluster when I directly compile DFTB+.</p>
        <p><br>
        </p>
        <p>Surprisingly, my binary obtained from direct compilation does
          work in login node in our cluster.</p>
        <p>But, the same binary does not work in computation node in our
          cluster.</p>
        <p><br>
        </p>
        <p>Generally, we submit the job into our computation node, not
          login node.</p>
        <p>The following is the error message.</p>
        <p><br>
        </p>
        <p><span>directory/dftb+: error while loading shared libraries:
            libarpack.so.2: cannot open shared object file: No such file
            or directory</span><br>
        </p>
        <p><span><br>
          </span></p>
        <p><span>How can I solve this problem when I run dftb+ in the
            computational node?</span></p>
        <p><span><br>
          </span></p>
        <p><span>Thanks.</span></p>
        <p><span><br>
          </span></p>
        <p><span>In Seong Lee.</span></p>
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      <pre wrap="">_______________________________________________
DFTB-Plus-User mailing list
<a class="moz-txt-link-abbreviated" href="mailto:DFTB-Plus-User@mailman.zfn.uni-bremen.de">DFTB-Plus-User@mailman.zfn.uni-bremen.de</a>
<a class="moz-txt-link-freetext" href="https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user">https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user</a></pre>
    </blockquote>
    <br>
    <pre class="moz-signature" cols="72">-- 
      Dr. B. Hourahine, SUPA, Department of Physics,
    University of Strathclyde, John Anderson Building,
            107 Rottenrow, Glasgow G4 0NG, UK.
    +44 141 548 2325, <a class="moz-txt-link-abbreviated" href="mailto:benjamin.hourahine@strath.ac.uk">benjamin.hourahine@strath.ac.uk</a>

2013/4 THE Awards Entrepreneurial University of the Year
      2012/13 THE Awards UK University of the Year

   The University of Strathclyde is a charitable body,
        registered in Scotland, number SC015263</pre>
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