<html>
  <head>
    <meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
  </head>
  <body text="#000000" bgcolor="#FFFFFF">
    <p>Previously, you wrote:<br>
    </p>
    <p>
      <blockquote type="cite">site configuring is done.</blockquote>
    </p>
    <p>I assume compilation already went well and that no error messages
      were given after "Compile time errors (if any) were" [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06000.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06000.html</a>
      ,
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17271.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17271.html</a>
      ].  If so, no need to recompile.  Else, you need to check the
      compile.msg file(s) for the errors [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06001.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg06001.html</a>
      ].<br>
    </p>
    <p><br>
      <blockquote type="cite"> But after user configuring, w2web page is
        not loading.</blockquote>
    </p>
    <p>You mentioned that only this is the problem, but reported nothing
      additional on it.  So, nobody can help you.<br>
    </p>
    <p><br>
      <blockquote type="cite"> I have found an empty .bashrc file.</blockquote>
    </p>
    <p>The .bashrc file usually should not be empty.  Did you view it in
      the wrong directory (e.g., using "cat .bashrc" instead of "cat
      ~/.bashrc")?  I guess "userconfig" ran successfully or did it
      fail?<br>
    </p>
    <p><br>
      <blockquote type="cite"> At last, I have deleted "w2web.users" and
        have set new id and password. Still I am having problem to open
        w2web. However on a laptop wien2k17.1 is working fine.</blockquote>
    </p>
    <p>It sounds like you were able to run w2web and setup the id and
      password just fine.  Is an incorrect hostname (IP address) or
      firewall causing the problem then?<br>
    </p>
    <p>On 7/12/2018 9:05 AM, Peter Blaha wrote:<br>
    </p>
    <p>
      <blockquote type="cite">
        Differences between ifort2015 and 2018:  certainly the -openmp 
        is no longer supported. We have replaced it by Intels
        recommendation for multithreading (<font color="#ff9900">-liomp5
          -lpthread -lm -ldl</font>) and use it also in mpi-compilation.
      </blockquote>
      You have those options below, so that should be fine.  The openmp
      should give the serial calculations some parallelization.  The
      "intel openmpi" is only need for mpi parallelization.<br>
    </p>
    <div class="moz-cite-prefix">On 11/13/2018 2:22 AM, Subhasis Panda
      wrote:<br>
    </div>
    <blockquote type="cite"
cite="mid:CAG7KuRX7KRia_LKOaNwy-DRK0YnV2R6eGe1W7xCmHyApz9igCw@mail.gmail.com">
      <meta http-equiv="content-type" content="text/html; charset=UTF-8">
      <div dir="ltr">Dear Gavin,
        <div>
          <div>I have intel openmpi in my PC but am not doing
            parallelization. The following are the compiler
            options..once the compilation is done should I again
            recompile it??  <br>
          </div>
          <div><br>
          </div>
          <div dir="ltr"> ***********************************************************************<br>
             *                 Specify compiler and linker
            options                 *<br>
 ***********************************************************************<br>
            <br>
             Since intel changes the name of the mkl-libraries from
            version to version,<br>
             you may find the linking options for the most recent ifort
            version at<br>
             <a
href="http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/"
              target="_blank" moz-do-not-send="true">http://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/</a><br>
            <br>
             Recommended options for system linuxifc are:<br>
                  Compiler options:        -O1 -FR -mp1 -w -prec_div
            -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io
            -I$(MKLROOT)/include<br>
                  Linker Flags:            $(FOPT)
            -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) <font color="#ff9900">-lpthread
              -lm -ldl -liomp5</font><br>
                  Preprocessor flags:      '-DParallel'<br>
                  R_LIB (LAPACK+BLAS):     -lmkl_intel_lp64
            -lmkl_intel_thread -lmkl_core<br>
            <br>
             Current settings:<br>
              O   Compiler options:        -O1 -FR -mp1 -w -prec_div
            -pc80 -pad -ip -DINTEL_VML -traceback -assume buffered_io
            -I$(MKLROOT)/include<br>
              L   Linker Flags:            $(FOPT)
            -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -lpthread -lm -ldl
            -liomp5<br>
              P   Preprocessor flags       '-DParallel'<br>
              R   R_LIBS (LAPACK+BLAS):    -lmkl_intel_lp64
            -lmkl_intel_thread -lmkl_core<br>
              X   LIBX options:<br>
                  LIBXC-LIBS:<br>
            <br>
              PO  Parallel options<br>
            <br>
              S   Save and Quit<br>
              Q   Quit and abandon changes<br>
            <br>
                  To change an item select option.<br>
            <br>
            Selection: <br>
          </div>
        </div>
      </div>
    </blockquote>
    <blockquote type="cite"
cite="mid:CAG7KuRX7KRia_LKOaNwy-DRK0YnV2R6eGe1W7xCmHyApz9igCw@mail.gmail.com"></blockquote>
  </body>
</html>