<div dir="ltr"><div dir="ltr">Hello Ben,<br></div><div dir="ltr"><div>To compile arpack, I used the following commands:</div><div><pre style="padding:1em;border:1px dashed rgb(47,111,171);color:rgb(0,0,0);background-color:rgb(249,249,249);line-height:1.1em">wget -O - <a href="http://www.caam.rice.edu/software/ARPACK/SRC/arpack96.tar.gz" class="external gmail-free" title="http://www.caam.rice.edu/software/ARPACK/SRC/arpack96.tar.gz" rel="nofollow" style="text-decoration-line:none;color:rgb(51,102,187);background:url("external.png") 100% 50% no-repeat;padding:0px 13px 0px 0px">http://www.caam.rice.edu/software/ARPACK/SRC/arpack96.tar.gz</a> | tar xzvf -
wget -O - <a href="http://www.caam.rice.edu/software/ARPACK/SRC/patch.tar.gz" class="external gmail-free" title="http://www.caam.rice.edu/software/ARPACK/SRC/patch.tar.gz" rel="nofollow" style="text-decoration-line:none;color:rgb(51,102,187);background:url("external.png") 100% 50% no-repeat;padding:0px 13px 0px 0px">http://www.caam.rice.edu/software/ARPACK/SRC/patch.tar.gz</a> | tar xzvf -
cd ARPACK
make FC=gfortran FFLAGS= MAKE=/usr/bin/make ARPACKLIB=$MYDIRECTORY/ARPACK/libarpack.a lib</pre></div></div><div>Then, <span style="background-color:rgb(249,249,249);color:rgb(0,0,0)">ARPACK_LIB= -L$MYDIRECTORY/ARPACK/libarpack.a lib copied into make.config and make.arch. But still I've got the following error:</span></div><div><span style="background-color:rgb(249,249,249);color:rgb(0,0,0)"><br></span></div><div>zlarf.f:(.text+0x192): undefined reference to `ilazlc_'<br>zlarf.f:(.text+0x2a9): undefined reference to `ilazlr_'<br>collect2: error: ld returned 1 exit status<br>make[1]: *** [dftb+] Error 1<br>make[1]: Leaving directory `/home/fmolani/DFTB+/dftbplus-18.2/_build/prog/dftb+'<br>make: *** [dftb+] Error 2<br></div><div>  please find make.config and make.arch for further information.</div><div>Best regards, Farzad</div><div><br></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sat, Jun 22, 2019 at 6:29 PM Ben Hourahine <<a href="mailto:benjamin.hourahine@strath.ac.uk">benjamin.hourahine@strath.ac.uk</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
  
    
  
  <div bgcolor="#FFFFFF">
    <p>Hello Farzad,</p>
    <p>do you need excited state calculations? If not disable
      WITH_ARPACK := 0 in make.config.</p>
    <p>Otherwise, you can compile arpack yourself, then (if its a static
      .a file) tell the DFTB+ build to use its location in make.arch :</p>
    <p>ARPACK_LIBS =  -L/your/path/to/library -larpack</p>
    <p>if its a dynamic arpack build (.so) you need to also include its
      location in your LDPATH variable (and keep the library, as it will
      load every time you run).</p>
    <p>Regards</p>
    <p>Ben<br>
    </p>
    <div class="gmail-m_4686681529935420449moz-cite-prefix">On 22/06/2019 14:42, Farzad Molani
      wrote:<br>
    </div>
    <blockquote type="cite">
      
      I know,  but I don't know how can I unstall arpack?
      <div>The package downloaded and now I need help to install it.<br>
        <div>Please note that, I don't permit to login as a root.<br>
          <br>
          On Saturday, June 22, 2019, RICCARDO ROZZA <<a href="mailto:rozza.riccardo@studium.unict.it" target="_blank">rozza.riccardo@studium.unict.it</a>>
          wrote:<br>
          <blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
            <div style="overflow-wrap: break-word;">
              Dear Farzad,
              <div><br>
              </div>
              <div>It seems that you need to install the arpack library
                (ld: cannot find -larpack).</div>
              <div>All the best,</div>
              <div><br>
              </div>
              <div>Riccardo.</div>
              <div>
                <div><br>
                  <blockquote type="cite">
                    <div>On 22 Jun 2019, at 10:01, Farzad Molani <<a href="mailto:f.molani@gmail.com" target="_blank">f.molani@gmail.com</a>>
                      wrote:</div>
                    <br>
                    <div>
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                          <div dir="ltr" class="gmail_attr">Dear DFTB
                            users,<br>
                          </div>
                          <div dir="ltr">
                            <div>I want to install the newest version of
                              DFTB+. The source and executable files
                              from <a href="http://www.dftbplus.org/download/dftb-stable/" target="_blank">http://www.dftbplus.org/download/dftb-stable/</a> 
                              have been downloaded and untarred. I try
                              to install the software based on
                              instructions on INSTALL.rst, but I got the
                              following error after the make.</div>
                            <div>.</div>
                            <div>.</div>
                            <div>.</div>
                            <div>.</div>
                            <div>w.o dispuffdata.o inputdata.o
                              pmlocalisation.o repcont.o repspline.o
                              reppoly.o xlbomd.o extlagrangian.o
                              linresp.o linrespgrad.o qm.o
                              linrespcommon.o arpack.o eigensolver.o
                              typegeometry.o simplemixer.o numderivs2.o
                              potentials.o thirdorder.o charges.o
                              dftbplusu.o geoopt.o steepdesc.o gdiis.o
                              orbitalequiv.o broydenmixer.o stress.o
                              etemp.o hermite.o factorial.o
                              intrinsicpr.o mixer.o andersonmixer.o
                              elecconstraints.o angmomentum.o
                              eigenvects.o parser.o hsdutils2.o
                              unitconversion.o oldcompat.o
                              typegeometryhsd.o oldskdata.o
                              densitymatrix.o populations.o repulsive.o
                              spinorbit.o forces.o
                               -L/home/fmolani/DFTB+/dftbplus-18.2/_build/external/xmlf90
                              -lxmlf90  -L/home/fmolani/DFTB+/dftbplus-18.2/_build/external/fsockets
                              -lfsockets   -L/apps/intel/2015/composer_xe_2015.3.187/mkl/lib/intel64
                              -lmkl_intel_lp64 -lmkl_intel_thread
                              -lmkl_core  -larpack -liomp5<br>
                              ld: cannot find -larpack<br>
                              make[1]: *** [dftb+] Error 1<br>
                              make[1]: Leaving directory
                              `/home/fmolani/DFTB+/dftbplus-18.2/_build/prog/dftb+'<br>
                              make: *** [dftb+] Error 2<br>
                              <div><br>
                              </div>
                              <div>I would appreciate to help me to
                                solve the problem.</div>
                              <div>Best regards, Farzad</div>
                              -- <br>
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                                                          <div>Farzad
                                                          Molani<br>
                                                          </div>
                                                          <div>Postdoctoral
                                                          Research
                                                          Fellow</div>
                                                          <div>School of
                                                          Pharmaceutical
                                                          Science and
                                                          Technology</div>
                                                          <div>Tianjin
                                                          University<br>
                                                          </div>
                                                          <div>Building
                                                          24, Room A205</div>
                                                          <div><a href="https://www.google.com/maps/search/92+Weijin+Road,+Nankai+District+%0D%0A+P.+R.+China?entry=gmail&source=g" target="_blank">92 Weijin Road, Nankai District</a></div>
                                                          <div><a href="https://www.google.com/maps/search/92+Weijin+Road,+Nankai+District+%0D%0A+P.+R.+China?entry=gmail&source=g" target="_blank">P. R. China</a></div>
                                                          <div>Tel.:
                                                          +8617526526420<br>
                                                          </div>
                                                          <div>Email: <a href="mailto:f.molani@gmail.com" target="_blank">
f.molani@gmail.com</a> and <a href="mailto:fmolani@dena.kntu.ac.ir" target="_blank">f.molani@tju.edu.cn</a></div>
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                                                          <div>Farzad
                                                          Molani<br>
                                                          </div>
                                                          <div>Postdoctoral
                                                          Research
                                                          Fellow</div>
                                                          <div>School of
                                                          Pharmaceutical
                                                          Science and
                                                          Technology</div>
                                                          <div>Tianjin
                                                          University<br>
                                                          </div>
                                                          <div>Building
                                                          24, Room A205</div>
                                                          <div><a href="https://www.google.com/maps/search/92+Weijin+Road,+Nankai+District+%0D%0A+P.+R.+China?entry=gmail&source=g" target="_blank">92 Weijin Road, Nankai District</a></div>
                                                          <div><a href="https://www.google.com/maps/search/92+Weijin+Road,+Nankai+District+%0D%0A+P.+R.+China?entry=gmail&source=g" target="_blank">P. R. China</a></div>
                                                          <div>Tel.:
                                                          +8617526526420<br>
                                                          </div>
                                                          <div>Email: <a href="mailto:f.molani@gmail.com" target="_blank">
f.molani@gmail.com</a> and <a href="mailto:fmolani@dena.kntu.ac.ir" target="_blank">f.molani@tju.edu.cn</a></div>
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                      </div>
                      _______________________________________________<br>
                      DFTB-Plus-User mailing list<br>
                      <a href="mailto:DFTB-Plus-User@mailman.zfn.uni-bremen.de" target="_blank">DFTB-Plus-User@mailman.zfn.uni-bremen.de</a><br>
                      <a href="https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user" target="_blank">https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user</a></div>
                  </blockquote>
                </div>
                <br>
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            </div>
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                                      <div>Farzad Molani<br>
                                      </div>
                                      <div>Postdoctoral Research Fellow</div>
                                      <div>School of Pharmaceutical
                                        Science and Technology</div>
                                      <div>Tianjin University<br>
                                      </div>
                                      <div>Building 24, Room A205</div>
                                      <div>92 Weijin Road, Nankai
                                        District</div>
                                      <div>P. R. China</div>
                                      <div>Tel.: +8617526526420<br>
                                      </div>
                                      <div>Email: <a href="mailto:f.molani@gmail.com" target="_blank">f.molani@gmail.com</a> and <a href="mailto:fmolani@dena.kntu.ac.ir" target="_blank">f.molani@tju.edu.cn</a></div>
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      <br>
      <br>
      <fieldset class="gmail-m_4686681529935420449mimeAttachmentHeader"></fieldset>
      <pre class="gmail-m_4686681529935420449moz-quote-pre">_______________________________________________
DFTB-Plus-User mailing list
<a class="gmail-m_4686681529935420449moz-txt-link-abbreviated" href="mailto:DFTB-Plus-User@mailman.zfn.uni-bremen.de" target="_blank">DFTB-Plus-User@mailman.zfn.uni-bremen.de</a>
<a class="gmail-m_4686681529935420449moz-txt-link-freetext" href="https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user" target="_blank">https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user</a></pre>
    </blockquote>
    <pre class="gmail-m_4686681529935420449moz-signature" cols="72">-- 
        Dr.  B.  Hourahine,  Senior  lecturer
            SUPA, Department  of  Physics,
             University  of  Strathclyde,
              John  Anderson  Building,
          107 Rottenrow, Glasgow G4 0NG, UK.                    
  +44 141 548 2325, <a class="gmail-m_4686681529935420449moz-txt-link-abbreviated" href="mailto:benjamin.hourahine@strath.ac.uk" target="_blank">benjamin.hourahine@strath.ac.uk</a>

The  Department is  a partner  in SUPA,  the Scottish
            Universities Physics Alliance

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

_______________________________________________<br>
DFTB-Plus-User mailing list<br>
<a href="mailto:DFTB-Plus-User@mailman.zfn.uni-bremen.de" target="_blank">DFTB-Plus-User@mailman.zfn.uni-bremen.de</a><br>
<a href="https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user" rel="noreferrer" target="_blank">https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user</a></blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div>Farzad Molani<br></div><div>Postdoctoral Research Fellow</div><div>School of Pharmaceutical Science and Technology</div><div>Tianjin University<br></div><div>Building 24, Room A205</div><div>92 Weijin Road, Nankai District</div><div>P. R. China</div><div>Tel.: +8617526526420<br></div><div>Email: <a href="mailto:f.molani@gmail.com" target="_blank">f.molani@gmail.com</a> and <a href="mailto:fmolani@dena.kntu.ac.ir" target="_blank">f.molani@tju.edu.cn</a></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div></div>