<div dir="ltr"><div dir="ltr">


        
        <span></span>Thank you Sir for your instantaneous support. Now it is working smoothly only with  hup: Command not found.<p style="margin-bottom:0cm;line-height:100%"><br>

</p>

</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, Sep 29, 2019 at 6:32 PM Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</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><font face="Times New Roman">Checking with "which lapw1c" on each
        node (vlsi1, vlsi2, vlsi3, and vlsi4) is a good idea.  However,
        since WIENROOT is (blank) [1], it probably won't work until that
        is resolved.</font></p>
    <p><font face="Times New Roman">It was mentioned that the WIEN2k
        .bashrc block was setup on each node by running userconfig [2]. 
        So it definitely seems strange that WIENROOT is (blank) on the
        client nodes since </font><font face="Times New Roman"><font face="Times New Roman">I would think it would work </font>if
        both WIENROOT and PATH are both defined from userconfig in
        .bashrc: <br>
      </font></p>
    <p><font face="Times New Roman">username@computername:~$ ssh vlsi1<br>
        ...<br>
        username@computername:~$ cd ~/WIEN2k<br>
        username@computername:~/WIEN2k$ which lapw1c<br>
        username@computername:~/WIEN2k$ grep "export WIENROOT" ~/.bashrc<br>
        username@computername:~/WIEN2k$ grep "export PATH" ~/.bashrc<br>
        username@computername:~/WIEN2k$ ./userconfig<br>
        ...<br>
        username@computername:~/WIEN2k$ grep "export WIENROOT" ~/.bashrc<br>
        export WIENROOT=/servernode1<br>
        username@computername:~/WIEN2k$ grep "export PATH" ~/.bashrc<br>
        export
PATH=$WIENROOT:$STRUCTEDIT_PATH:$WIENROOT/SRC_IRelast/script-elastic:$PATH:.<br>
        export PATH=$PATH:$WIENROOT:.<br>
        username@computername:~/WIEN2k$ source ~/.bashrc<br>
        username@computername:~/WIEN2k$ which lapw1c<br>
        /home/username/WIEN2k/lapw1c<br>
        username@computername:~/WIEN2k$ exit<br>
        logout<br>
        Connection to vlsi1 closed.<br>
      </font></p>
    <p>Though, I suppose if something like a conf file [3] was setup by
      the user to override .bashrc or a job queue scheduler system is in
      use [4] it might also cause the issue.<br>
    </p>
    [1]
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19052.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19052.html</a><br>
    [2]
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19036.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19036.html</a><br>
    [3]
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08016.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg08016.html</a>
    <div>[4]
<a href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15985.html" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15985.html</a></div>
    <div><br>
    </div>
    <div>On 9/29/2019 6:11 AM, Laurence Marks
      wrote:<br>
    </div>
    <blockquote type="cite">
      
      <div dir="auto">What does
        <div dir="auto"><br>
          <span style="font-family:sans-serif;font-size:12.8px">ssh
            vlsi1 which lapw1c</span></div>
        <div dir="auto"><span style="font-size:12.8px;font-family:sans-serif">give, what
            does "cat *.error" give in the case directory?</span><br>
        </div>
        <div dir="auto">
          <div dir="auto">_____<br>
            Professor Laurence Marks<br>
            "Research is to see what everybody else has seen, and to
            think what nobody else has thought", Albert Szent-Gyorgi<br>
            <a href="http://www.numis.northwestern.edu" target="_blank">www.numis.northwestern.edu</a></div>
        </div>
      </div>
      <br>
      <div class="gmail_quote">
        <div dir="ltr" class="gmail_attr">On Sun, Sep 29, 2019, 01:17
          Indranil mal <<a href="mailto:indranil.mal@gmail.com" target="_blank">indranil.mal@gmail.com</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 dir="ltr">
            <div>Now echo $WIENROOT is giving the $WIENROOT location. <br>
            </div>
            <div><br>
            </div>
            <div> <span></span>
              <p style="margin-bottom:0cm;line-height:100%"> echo
                $WIENROOT/lapw*</p>
              <p style="margin-bottom:0cm;line-height:100%">/home/username/WIEN2K/lapw0
                /home/username/WIEN2K/lapw0_mpi
                /home/username/WIEN2K/lapw0para
                /home/username/WIEN2K/lapw0para_lapw
                /home/username/WIEN2K/lapw1
                /home/username/WIEN2K/lapw1c
                /home/username/WIEN2K/lapw1c_mpi
                /home/username/WIEN2K/lapw1cpara
                /home/username/WIEN2K/lapw1_mpi
                /home/username/WIEN2K/lapw1para
                /home/username/WIEN2K/lapw1para_lapw
                /home/username/WIEN2K/lapw2 /home/username/WIEN2K/lapw2c
                /home/username/WIEN2K/lapw2c_mpi
                /home/username/WIEN2K/lapw2cpara
                /home/username/WIEN2K/lapw2_mpi
                /home/username/WIEN2K/lapw2para
                /home/username/WIEN2K/lapw2para_lapw
                /home/username/WIEN2K/lapw3
                /home/username/WIEN2K/lapw3c /home/username/WIEN2K/lapw5
                /home/username/WIEN2K/lapw5c /home/username/WIEN2K/lapw7
                /home/username/WIEN2K/lapw7c
                /home/username/WIEN2K/lapwdm
                /home/username/WIEN2K/lapwdmc
                /home/username/WIEN2K/lapwdmcpara
                /home/username/WIEN2K/lapwdmpara
                /home/username/WIEN2K/lapwdmpara_lapw
                /home/username/WIEN2K/lapwso
                /home/username/WIEN2K/lapwsocpara
                /home/username/WIEN2K/lapwso_mpi
                /home/username/WIEN2K/lapwsopara
                /home/username/WIEN2K/lapwsopara_lapw</p>
              <p style="margin-bottom:0cm;line-height:100%">ssh vlsi1
                'echo
                $WIENROOT/lapw*'</p>
              <p style="margin-bottom:0cm;line-height:100%">/home/username/WIEN2K/lapw0
                /home/username/WIEN2K/lapw0_mpi
                /home/username/WIEN2K/lapw0para
                /home/username/WIEN2K/lapw0para_lapw
                /home/username/WIEN2K/lapw1
                /home/username/WIEN2K/lapw1c
                /home/username/WIEN2K/lapw1c_mpi
                /home/username/WIEN2K/lapw1cpara
                /home/username/WIEN2K/lapw1_mpi
                /home/username/WIEN2K/lapw1para
                /home/username/WIEN2K/lapw1para_lapw
                /home/username/WIEN2K/lapw2 /home/username/WIEN2K/lapw2c
                /home/username/WIEN2K/lapw2c_mpi
                /home/username/WIEN2K/lapw2cpara
                /home/username/WIEN2K/lapw2_mpi
                /home/username/WIEN2K/lapw2para
                /home/username/WIEN2K/lapw2para_lapw
                /home/username/WIEN2K/lapw3
                /home/username/WIEN2K/lapw3c /home/username/WIEN2K/lapw5
                /home/username/WIEN2K/lapw5c /home/username/WIEN2K/lapw7
                /home/username/WIEN2K/lapw7c
                /home/username/WIEN2K/lapwdm
                /home/username/WIEN2K/lapwdmc
                /home/username/WIEN2K/lapwdmcpara
                /home/username/WIEN2K/lapwdmpara
                /home/username/WIEN2K/lapwdmpara_lapw
                /home/username/WIEN2K/lapwso
                /home/username/WIEN2K/lapwsocpara
                /home/username/WIEN2K/lapwso_mpi
                /home/username/WIEN2K/lapwsopara
                /home/username/WIEN2K/lapwsopara_lapw</p>
              <p style="margin-bottom:0cm;line-height:100%"><br>
              </p>
              <p style="margin-bottom:0cm;line-height:100%">However
                getting the same error <br>
              </p>
              <table bgcolor="#c3ffd2">
                <tbody>
                  <tr>
                    <td bgcolor="#E0E0E0">
                      <form action="http:///util/stdout.pl" method="POST">
                      </form>
                      <br>
                    </td>
                    <td bgcolor="#E0E0E0">
                      <br>
                    </td>
                  </tr>
                </tbody>
              </table>
              <pre>>   stop error

grep: *scf1*: No such file or directory
cp: cannot stat '.in.tmp': No such file or directory
FERMI - Error
grep: *scf1*: No such file or directory
Parallel.scf1_1: No such file or directory.
bash: fixerror_lapw: command not found
bash: lapw1c: command not found
bash: fixerror_lapw: command not found
bash: lapw1c: command not found
bash: fixerror_lapw: command not found
bash: lapw1c: command not found
bash: fixerror_lapw: command not found
bash: lapw1c: command not found
bash: fixerror_lapw: command not found
bash: lapw1c: command not found
bash: fixerror_lapw: command not found
bash: lapw1c: command not found
 LAPW0 END
hup: Command not found.</pre>
              <p style="margin-bottom:0cm;line-height:100%">
              </p>
              <p style="margin-bottom:0cm;line-height:100%"><br>
              </p>
              <p style="margin-bottom:0cm;line-height:100%">and lapw2
                error file <br>
              </p>
              <p style="margin-bottom:0cm;line-height:100%"> 'LAPW2' -
                can't open unit: 30                                    
                           <br>
                 'LAPW2' -        filename: Parallel.energy_1          
                                      <br>
                **  testerror: Error in Parallel LAPW2<br>
              </p>
            </div>
            <div><br>
            </div>
          </div>
          <br>
          <div class="gmail_quote">
            <div dir="ltr" class="gmail_attr">On Sat, Sep 28, 2019 at
              11:58 PM Gavin Abo <<a href="mailto:gsabo@crimson.ua.edu" rel="noreferrer" target="_blank">gsabo@crimson.ua.edu</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><font face="Times New Roman">The "<font color="#ff0000">sudo service sshd restart</font>"
                    step, which I forgot to copy and paste, that is
                    missing is corrected below.</font><br>
                </p>
                <div>On 9/28/2019 12:18 PM, Gavin Abo wrote:<br>
                </div>
                <blockquote type="cite">
                  <p>After you set both "SendEnv *" and "AcceptEnv *",
                    did you restart the sshd service [1]?  The following
                    illustrates steps that might help you verify that
                    WIENROOT appears on a remote vlsi node:<br>
                  </p>
                  <p>username@computername:~$ echo $WIENROOT<br>
                    <br>
                    username@computername:~$ export
                    WIENROOT=/servernode1<br>
                    username@computername:~$ echo $WIENROOT<br>
                    /servernode1<br>
                    username@computername:~$ ssh vlsi<br>
                    Welcome to Ubuntu 18.04.3 LTS (GNU/Linux
                    4.15.0-64-generic x86_64)<br>
                    ... <br>
                    Last login: Sat Sep 28 12:04:07 2019 from xxx.x.x.x<br>
                    username@computername:~$ echo $WIENROOT<br>
                    <br>
                    username@computername:~$ exit<br>
                    logout<br>
                    Connection to vlsi closed.<br>
                    username@computername:~$ sudo gedit
                    /etc/ssh/ssh_config <br>
                    [sudo] password for username: <br>
                    <br>
                    username@computername:~$ sudo gedit
                    /etc/ssh/sshd_config <br>
                    <br>
                    username@computername:~$ grep SendEnv
                    /etc/ssh/ssh_config<br>
                        SendEnv LANG LC_* WIENROOT<br>
                    username@computername:~$ grep AcceptEnv
                    /etc/ssh/sshd_config<br>
                    AcceptEnv LANG LC_* WIENROOT<br>
                  </p>
                </blockquote>
                   username@computername:~$ <font color="#ff0000">sudo
                  service sshd restart</font><br>
                <blockquote type="cite">
                  <p> username@computername:~$ ssh vlsi<br>
                    ...<br>
                    username@computername:~$ echo $WIENROOT<br>
                    /servernode1<br>
                    username@computername:~$ exit<br>
                  </p>
                  <p>[1] <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__askubuntu.com_questions_462968_take-2Dchanges-2Din-2Dfile-2Dsshd-2Dconfig-2Dfile-2Dwithout-2Dserver-2Dreboot&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=BP0kuacuLbCvaswrI8sq446rvs3sVq5NP9e7yGAiTJU&s=FLliCLwqxudgCchv5BCSfVP-J7BhHgTh4n7QZlioHSc&e=" rel="noreferrer" target="_blank">https://askubuntu.com/questions/462968/take-changes-in-file-sshd-config-file-without-server-reboot</a><br>
                  </p>
                  <div>On 9/28/2019 11:22 AM, Indranil mal wrote:<br>
                  </div>
                  <blockquote type="cite">
                    <div dir="auto">
                      <div>Sir I have tried with " SetEnv * " Still
                        nothing is coming with echo  commad and user
                        name by mistake I posted wrong Otherwise no
                        issue with user name and I have set the parallel
                        options file taksset "no" and remote options are
                        1 1 in server and client machines. </div>
                      <div dir="auto"><br>
                        <br>
                        <div class="gmail_quote" dir="auto">
                          <div dir="ltr" class="gmail_attr">On Sat, 28
                            Sep 2019 11:36 Gavin Abo, <<a href="mailto:gsabo@crimson.ua.edu" rel="noreferrer" target="_blank">gsabo@crimson.ua.edu</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">
                              <blockquote type="cite">
                                <div dir="ltr">
                                  <div>Respected Sir, In my linux(Ubuntu
                                    18.04 LTS) in ssh_config, and in
                                    sshd_config there are two line
                                    already "SendEnv LANG LC_*"
                                    "AcceptEnv LANG LC_*" respectively.
                                  </div>
                                </div>
                              </blockquote>
                              <p><font color="#000099">The "LANG LC_*"
                                  probably only puts just the local
                                  language variables in the remote
                                  environment.  Did you follow the
                                  previous advice [1] of trying to use
                                  "*" to put all variables from the
                                  local environment?</font></p>
                              <p><font color="#000099">[1] <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_msg19049.html&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=BP0kuacuLbCvaswrI8sq446rvs3sVq5NP9e7yGAiTJU&s=F2Kzs7Ld5paBoEnONGhjuu1Gkmmzcm97Ym-J9K4SEZI&e=" rel="noreferrer noreferrer" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19049.html</a><br>
                                </font></p>
                              <blockquote type="cite">
                                <div dir="ltr">
                                  <div>However, ssh vsli1 'echo
                                    $WIENROOT' gives nothing (blank).</div>
                                </div>
                              </blockquote>
                              <p><font color="#000099">That seems to be
                                  the main cause of the problem as it
                                  should not return (blank) but needs to
                                  return "/servernode1" as you
                                  previously mentioned [2].</font></p>
                              <p><font color="#000099">[2] <a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__www.mail-2Darchive.com_wien-40zeus.theochem.tuwien.ac.at_msg19036.html&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=BP0kuacuLbCvaswrI8sq446rvs3sVq5NP9e7yGAiTJU&s=vGl31Rca7NV32sDbba9qX9Fj6fpuj8KtDG8FBeL1emI&e=" rel="noreferrer noreferrer" target="_blank">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19036.html</a></font></p>
                              <p><font color="#000099">Perhaps the
                                  message below is a clue.  It you had
                                  set the WIENROOT variable in .bashrc
                                  of your /home/vlsi accounts on each
                                  system, you likely have to login and
                                  use that same </font><font color="#000099"><font color="#000099">/home/vlsi
                                  </font>account on the head node as the
                                  output below seems to indicate login
                                  to a different /home/niel account. 
                                  Alternatively, setting the WIENROOT
                                  variable in .bashrc of all /home/niel
                                  accounts on each node might work too.</font><br>
                              </p>
                              <blockquote type="cite">
                                <div dir="ltr">
                                  <div>   The command ssh vsli1 'pwd
                                    $WIENROOT' print "/home/vlsi" the
                                    common home directory and <br>
                                  </div>
                                  <div>ssh vlsi1 "env"</div>
                                  ...<br>
                                  USER=niel<br>
                                  PWD=/home/niel<br>
                                  HOME=/home/niel<br>
                                  ...<br>
                                  <div>this is similar as server, and
                                    other nodes.</div>
                                  <div><br>
                                  </div>
                                  <div>Sir After changing the parallel
                                    option file in $WIENROOT in server
                                    to <br>
                                  </div>
                                  <div><br>
                                  </div>
                                  <div>setenv TASKSET <span style="color:rgb(255,0,0)"><b>"yes"
                                        from "no"</b></span><br>
                                    if ( ! $?USE_REMOTE ) setenv
                                    USE_REMOTE 1<br>
                                    if ( ! $?MPI_REMOTE ) setenv
                                    MPI_REMOTE 1<br>
                                    setenv WIEN_GRANULARITY 1<br>
                                    setenv DELAY 0.1<br>
                                    setenv SLEEPY 1<br>
                                    setenv WIEN_MPIRUN "mpirun -np _NP_
                                    -machinefile _HOSTS_ _EXEC_"<br>
                                    setenv CORES_PER_NODE 1<br>
                                  </div>
                                  <div><br>
                                  </div>
                                  <div>the error is not coming but the
                                    program is not increasing steps
                                    after lapw0 it stuck in lapw1<br>
                                  </div>
                                </div>
                              </blockquote>
                              <p><font color="#000099">Since it seemed
                                  to be throwing an appropriate error
                                  message with TASKSET previously unlike
                                  when set to "yes", probably you should
                                  change it back to "no".</font><br>
                              </p>
                            </div>
                          </blockquote>
                        </div>
                      </div>
                    </div>
                  </blockquote>
                </blockquote>
              </div>
            </blockquote>
          </div>
        </blockquote>
      </div>
    </blockquote>
    <blockquote type="cite"></blockquote>
  </div>

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