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    On 3/05/2011 8:19 PM, Bharati Singh wrote:
    <blockquote
      cite="mid:BANLkTinW1Lu-oZqV=bYfcB32sBuyBo=r9g@mail.gmail.com"
      type="cite">&nbsp;Mentioned method is working in another user's home
      directory on same machine, then I dont think the problem with
      linking.<br>
    </blockquote>
    <br>
    Please be specific... I can think of three different things you
    might mean by the "mentioned method", and when you've not troubled
    to address the specific points I've raised, I'm not going to be
    troubled to guess what you do mean :-)<br>
    <br>
    Mark<br>
    <br>
    <blockquote
      cite="mid:BANLkTinW1Lu-oZqV=bYfcB32sBuyBo=r9g@mail.gmail.com"
      type="cite">
      <div class="gmail_quote">On Tue, May 3, 2011 at 3:34 PM, Mark
        Abraham <span dir="ltr">&lt;<a moz-do-not-send="true"
            href="mailto:Mark.Abromeaham@anu.edu.au">Mark.Abromeaham@anu.edu.au</a>&gt;</span>
        wrote:<br>
        <blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt
          0.8ex; border-left: 1px solid rgb(204, 204, 204);
          padding-left: 1ex;">
          <div text="#000000" bgcolor="#ffffff">
            <div class="im"> On 3/05/2011 7:37 PM, Bharati Singh wrote:
              <blockquote type="cite"><font face="arial">Hi Team,<br>
                  <br>
                  Thanks for your reply.<br>
                  <br>
                  I had tried following method to install gromacs-4.0.7
                  -<br>
                  <span style="text-decoration: underline;"></span><br>
                  $ module load intel_all/impi/default<br>
                  <br>
                  $ ./configure --enable-mpi --with-fft=fftw2
                  LDFLAGS="-L/sfs1/lib/sfftw-2.1.5/lib/"
                  CPPFLAGS="-I/sfs1/lib/sfftw-2.1.5/include"
                  LIBS="-lsfftw" F77=mpif77&nbsp;
                  --prefix=/sfs3/home/bharati/gromacs<br>
                  <br>
                  $ make<br>
                  $ make install<br>
                  <br>
                  Following the command to submit the job in queue:<br>
                  <br>
                  bsub -q normal4c -n 4 mpirun -srun
                  /sfs3/home/bharati/gromacs/bin/mdrun -pd&nbsp; -v -s
                  Ag6A12_equil.tpr -o Ag6A12_equil.trr -c
                  Ag6A12_equil.gro -e Ag6A12_equil.edr -g
                  Ag6A12_equil.log<br>
                  <br>
                </font><font face="arial"><span style="text-decoration:
                    underline;"></span></font><font face="arial"><br>
                  When I submit the job for more than one processors in
                  queue, it gets terminated immediately without error.
                  It is not creating any file etc..<br>
                </font></blockquote>
              <br>
            </div>
            That set of commands should create mdrun_mpi. Why are you
            not using it?<br>
            <br>
            If this mdrun really is the one produced by the above
            configuration, the symptoms suggest some kind of (dynamic)
            linking problem, but we have no way to be more specific.
            It's not GROMACS-related.<br>
            <font color="#888888"> <br>
              Mark</font>
            <div>
              <div class="h5"><br>
                <br>
                <blockquote type="cite"><font face="arial"><br>
                    Thanks &amp; Regards,</font><br>
                  <br>
                  <div class="gmail_quote">On Tue, May 3, 2011 at 2:40
                    PM, Saikat Banerjee <span dir="ltr">&lt;<a
                        moz-do-not-send="true"
                        href="mailto:banskt.saikat@gmail.com"
                        target="_blank">banskt.saikat@gmail.com</a>&gt;</span>
                    wrote:<br>
                    <blockquote class="gmail_quote" style="margin: 0pt
                      0pt 0pt 0.8ex; border-left: 1px solid rgb(204,
                      204, 204); padding-left: 1ex;">Hi,<br>
                      <br>
                      Have you checked the error log? Please post the
                      error log.<br>
                      <br>
                      Have you configured GROMACS using --enable-mpi?<br>
                      <br>
                      Thanks,<br>
                      Saikat<br>
                      <br>
                      <div class="gmail_quote">
                        <div>
                          <div>On Tue, May 3, 2011 at 2:35 PM, Bharati
                            Singh <span dir="ltr">&lt;<a
                                moz-do-not-send="true"
                                href="mailto:bharati0307@gmail.com"
                                target="_blank">bharati0307@gmail.com</a>&gt;</span>
                            wrote:<br>
                          </div>
                        </div>
                        <blockquote class="gmail_quote" style="margin:
                          0pt 0pt 0pt 0.8ex; border-left: 1px solid
                          rgb(204, 204, 204); padding-left: 1ex;">
                          <div>
                            <div><font face="arial">Hi Team,<br>
                                <br>
                                I have LSF in my cluster ,I have
                                installed gromacs-4.0.7 on Sampige. It
                                is working fine as a serial(on 1
                                processor) ,</font><font face="arial">when

                                I submit the job for more than one
                                processors in queue, it gets terminated
                                immediately.Can you suggest me something
                                about it, please<br>
                                <br>
                                Thanks &amp; Regards,</font><br
                                clear="all">
                              <br>
                              -- <br>
                              Bharati Singh<br>
                              System Administrator<br>
                              Centre for Computational Materials
                              Science(CCMS)<br>
                              Jawaharlal Nehru Centre for Advanced
                              Scientific Research(JNCASR),<br>
                              Bangalore - 560 064 <br>
                              India.<br>
                              mob.&nbsp;&nbsp; : 08970898515<br>
                              Phone : +91 80 2208 2944&nbsp;&nbsp; + Ext. 26 &amp;
                              28<br>
                              Fax&nbsp; &nbsp;&nbsp; : +91 80 2208 2906<br>
                              Email&nbsp; : <a moz-do-not-send="true"
                                href="mailto:amit@jncasr.ac.in"
                                target="_blank">bharati_singh@jncasr.ac.in</a><br>
                              <br>
                              <br>
                              <a moz-do-not-send="true"
                                href="http://www.jncasr.ac.in/ccms"
                                target="_blank">http://www.jncasr.ac.in/ccms</a><br>
                              <a moz-do-not-send="true"
                                href="http://www.jncasr.ac.in/"
                                target="_blank">http://www.jncasr.ac.in/</a><br>
                              <br>
                            </div>
                          </div>
                          --<br>
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                      </div>
                      <br>
                      <br clear="all">
                      <br>
                      -- <br>
-------------------------------------------------------------------<br>
                      Saikat Banerjee<br>
                      Integrated Ph.D student<br>
                      Prof B. Bagchi's group<br>
                      Room no. 210<br>
                      Solid State and Structural Chemistry Unit (SSCU)<br>
                      Indian Institute of Science<br>
                      Bangalore-560012<br>
                      &nbsp; <br>
                      &nbsp; Ph: +91-80-22933305 (lab)<br>
                      &nbsp; &nbsp; &nbsp; +91-80-23602338 (lab)<br>
                      &nbsp; &nbsp; &nbsp; +91-9980228606&nbsp; (mobile)<br>
                      &nbsp; <br>
                      &nbsp; Alternate e-mail:<br>
                      &nbsp; &nbsp; &nbsp; <a moz-do-not-send="true"
                        href="mailto:saikat@sscu.iisc.ernet.in"
                        target="_blank">saikat@sscu.iisc.ernet.in</a><br>
                      &nbsp; &nbsp; &nbsp; <a moz-do-not-send="true"
                        href="mailto:banskt@yahoo.co.in" target="_blank">banskt@yahoo.co.in</a><br>
-------------------------------------------------------------------<br>
                      <br>
                      --<br>
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                    </blockquote>
                  </div>
                  <br>
                  <br clear="all">
                  <br>
                  -- <br>
                  Bharati Singh<br>
                  System Administrator<br>
                  Centre for Computational Materials Science(CCMS)<br>
                  Jawaharlal Nehru Centre for Advanced Scientific
                  Research(JNCASR),<br>
                  Bangalore - 560 064 <br>
                  India.<br>
                  mob.&nbsp;&nbsp; : 08970898515<br>
                  Phone : +91 80 2208 2944&nbsp;&nbsp; + Ext. 26 &amp; 28<br>
                  Fax&nbsp; &nbsp;&nbsp; : +91 80 2208 2906<br>
                  Email&nbsp; : <a moz-do-not-send="true"
                    href="mailto:amit@jncasr.ac.in" target="_blank">bharati_singh@jncasr.ac.in</a><br>
                  <br>
                  <br>
                  <a moz-do-not-send="true"
                    href="http://www.jncasr.ac.in/ccms" target="_blank">http://www.jncasr.ac.in/ccms</a><br>
                  <a moz-do-not-send="true"
                    href="http://www.jncasr.ac.in/" target="_blank">http://www.jncasr.ac.in/</a><br>
                </blockquote>
                <br>
              </div>
            </div>
          </div>
          <br>
          --<br>
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        </blockquote>
      </div>
      <br>
      <br clear="all">
      <br>
      -- <br>
      Bharati Singh<br>
      System Administrator<br>
      Centre for Computational Materials Science(CCMS)<br>
      Jawaharlal Nehru Centre for Advanced Scientific Research(JNCASR),<br>
      Bangalore - 560 064 <br>
      India.<br>
      mob.&nbsp;&nbsp; : 08970898515<br>
      Phone : +91 80 2208 2944&nbsp;&nbsp; + Ext. 26 &amp; 28<br>
      Fax&nbsp; &nbsp;&nbsp; : +91 80 2208 2906<br>
      Email&nbsp; : <a moz-do-not-send="true"
        href="mailto:amit@jncasr.ac.in" target="_blank">bharati_singh@jncasr.ac.in</a><br>
      <br>
      <br>
      <a moz-do-not-send="true" href="http://www.jncasr.ac.in/ccms"
        target="_blank">http://www.jncasr.ac.in/ccms</a><br>
      <a moz-do-not-send="true" href="http://www.jncasr.ac.in/"
        target="_blank">http://www.jncasr.ac.in/</a><br>
    </blockquote>
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