<div dir="ltr">BTW, the band structure (subdir.spaghetti_ene) was written. <div class="gmail_extra"><br><div class="gmail_quote">2015-10-27 17:26 GMT+08:00 Yue-Wen Fang <span dir="ltr"><<a href="mailto:yuewen.fang@gmail.com" target="_blank">yuewen.fang@gmail.com</a>></span>:<br><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><div dir="ltr"><b>Dear Gavin,</b><div><b><br></b></div><div><b>I really appreciate your kind help. Your question in last email motivated me to check the files in the SRC_w2w folder. "file w2w" in that folder gave the correct bit features. Thus I removed w2w in $WIENROOT and created a soft link of w2w from SRC_w2w folder. It can run well and the output files (subdir.mmn, subdir.amn, and subdir.eig) were written.</b></div><div><b><br></b></div><div><b>Unfortunately thestep "x wannier90"  seemed not to work well, where the output information was given as following.</b></div><div><br></div><div><div>$  ~/fang/v1/subdir 17:46:20 >x wannier90</div><div>wannier90 error: examine the output/error file for details</div><div>0.009u 0.007s 0:00.05 0.0%      0+0k 0+0io 3pf+0w</div></div><div><br></div><div><b>At the end of the file "subdir.wout", it said that </b><br></div><div><br></div><div><div> *============================================================================*</div><div> |                              MEMORY ESTIMATE                               |</div><div> |         Maximum RAM allocated during each phase of the calculation         |</div><div> *============================================================================*</div><div> |                        Disentanglement            1.91 Mb                  |</div><div> |                            Wannierise:            0.26 Mb                  |</div><div> *----------------------------------------------------------------------------*</div><div><br></div><div> Starting a new Wannier90 calculation ...</div><div><br></div><div> Time to write kmesh            0.049 (sec)</div><div><br></div><div> Exiting... subdir.nnkp written.</div></div><div><br></div><div><b>Then, "vi subdir.nnkp" was used to check the contents of nnkp file. This file contained many k-points. But the official guide said that position and spread of the WF’s should be written in subdir.wout, in my case, this part of data was missing. Have you ever encountered this problem?</b></div><div><b><br></b></div><div><b>Bests</b></div><span class=""><font color="#888888"><div><b>Fang</b></div></font></span><div><div class="h5"><div><br></div><div class="gmail_extra"><br></div><div class="gmail_extra"><br></div><div class="gmail_extra"><br><div class="gmail_quote">2015-10-27 16:13 GMT+08:00 Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span>:<br><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
  
    
  
  <div bgcolor="#FFFFFF" text="#000000">
    <div>Yes, that is strange.  The w2w file
      should also be an "ELF 64-bit LSB executable".<br>
      <br>
      How about the w2w file in the SRC_w2w folder of the ~/WIEN2k.14/
      directory, is it also gzip compressed data file?<div><div><br>
      <br>
      On 10/27/2015 2:02 AM, Yue-Wen Fang wrote:<br>
    </div></div></div><div><div>
    <blockquote type="cite">
      <div dir="ltr">Dear Gavin,
        <div><br>
        </div>
        <div>Thanks for the information.</div>
        <div><br>
        </div>
        <div>My system is a 64 bit redhat linux system. It's very
          strange that the execution of "file w2w" showed "w2w: gzip
          compressed data, from Unix, last modified: Sat Nov 20 04:32:01
          2004." Actually I just compiled the latest version of wien2k
          in this morning.</div>
        <div><br>
        </div>
        <div>I also use the commad "file nn" in $WIENROOT and it gave me
          the information about bit of nn.</div>
        <div><br>
        </div>
        <div>
          <div>nn: ELF 64-bit LSB executable, AMD x86-64, version 1
            (SYSV), for GNU/Linux 2.6.9, dynamically linked (uses shared
            libs), for GNU/Linux 2.6.9, not stripped</div>
        </div>
        <div><br>
        </div>
        <div>Bests</div>
        <div>Fang</div>
        <div><br>
        </div>
        <div class="gmail_extra"><br>
          <div class="gmail_quote">2015-10-27 15:33 GMT+08:00 Gavin Abo
            <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span>:<br>
            <blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
              <div bgcolor="#FFFFFF" text="#000000">
                <div>That error usually happens if the w2w executable
                  file is compiled on a 64 bit operating system, but
                  then it is copied and ran on a 32 bit operating system
                  [ <a href="https://www.dartmouth.edu/%7Erc/classes/softdev_linux/32-64bit.html" target="_blank">https://www.dartmouth.edu/~rc/classes/softdev_linux/32-64bit.html</a>
                  ].  You can probably use the Linux 'file' command [ <a href="http://superuser.com/questions/791506/how-to-determine-if-a-linux-binary-file-is-32-bit-or-64-bit" target="_blank"></a><a href="http://superuser.com/questions/791506/how-to-determine-if-a-linux-binary-file-is-32-bit-or-64-bit" target="_blank">http://superuser.com/questions/791506/how-to-determine-if-a-linux-binary-file-is-32-bit-or-64-bit</a>
                  ] to check if the w2w executable file is 32 bit or 64
                  bit:<br>
                  <br>
                  $ cd ~/WIEN2k.14/<br>
                  $ file w2w<br>
                  <br>
                  (where $ is a bash terminal)
                  <div>
                    <div><br>
                      <br>
                      On 10/27/2015 12:15 AM, Yue-Wen Fang wrote:<br>
                    </div>
                  </div>
                </div>
                <div>
                  <div>
                    <blockquote type="cite">
                      <div dir="ltr">Dear all,
                        <div><br>
                        </div>
                        <div>During the execution of <b>x w2w</b> in
                          order to compute the overlap matrix, it gave
                          me some error shown below.</div>
                        <div><br>
                        </div>
                        <div>
                          <div>hcding@login1  ~/v1/subdir 14:54:07 ><b>x
                              w2w</b></div>
                          <div>~/WIEN2k.14/w2w: Exec format error. Wrong
                            Architecture.</div>
                          <div>0.000u 0.000s 0:00.02 0.0%      0+0k
                            0+0io 0pf+0w</div>
                          <div>error: command   ~/WIEN2k.14/w2w w2w.def
                              failed</div>
                          <div><br>
                          </div>
                          <div>I googled this error but got no
                            solutions. Could you help fix this? </div>
                          <div><br>
                          </div>
                          <div>Note that, before execution of x w2w, I
                            have used "x lapw1' to compute the
                            eigenvectors on full k-mesh. The verison of
                            WIEN2k is the latest one, and the version of
                            Python is 2.7.2.</div>
                          <div><br>
                          </div>
                          <div><br>
                          </div>
                          <div>Bests</div>
                          <div>Fang</div>
                          <div><br>
                          </div>
                          <div><br>
                          </div>
                          -- <br>
                          <div>
                            <div dir="ltr">------------------------------------------------------------------------------------------------------------

                              <div>Yue-Wen FANG, PhD candidate
                                <div>
                                  <div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East China Normal
                                      University <br>
                                    </a></div>
                                </div>
                              </div>
                            </div>
                          </div>
                        </div>
                      </div>
                    </blockquote>
                  </div>
                </div>
              </div>
              <br>
              _______________________________________________<br>
              Wien mailing list<br>
              <a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
              <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
              SEARCH the MAILING-LIST at:  <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
              <br>
            </blockquote>
          </div>
          <br>
          <br clear="all">
          <div><br>
          </div>
          -- <br>
          <div>
            <div dir="ltr">------------------------------------------------------------------------------------------------------------
              <div>Yue-Wen FANG, PhD candidate<br>
                <div><a href="http://clpm.ecnu.edu.cn/" style="font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)" target="_blank">Key Laboratory of Polar Materials
                    and Devices, Ministry of Education</a><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)">
                  <div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East
                      China Normal University <br>
                    </a></div>
                </div>
              </div>
            </div>
          </div>
        </div>
      </div>
    </blockquote>
  </div></div></div>

<br>_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at:  <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
<br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div><div dir="ltr">------------------------------------------------------------------------------------------------------------<div>Yue-Wen FANG, PhD candidate<br><div><a href="http://clpm.ecnu.edu.cn/" style="font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)" target="_blank">Key Laboratory of Polar Materials and Devices, Ministry of Education</a><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East China Normal University </a></div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><br></div></div><div><br></div><div><br></div></div></div></div>
</div></div></div></div>
</blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr">------------------------------------------------------------------------------------------------------------<div>Yue-Wen FANG, PhD candidate<br><div><a href="http://clpm.ecnu.edu.cn/" style="font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)" target="_blank">Key Laboratory of Polar Materials and Devices, Ministry of Education</a><br style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><a href="http://english.ecnu.edu.cn/" target="_blank">East China Normal University </a></div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)"><br></div></div><div><br></div><div><br></div></div></div></div>
</div></div>