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<p><font face="Times New Roman">An additional comment, </font><font
face="Times New Roman">/home/username/WIEN2k (or ~/WIEN2k) is
where I have WIEN2k installed. Whereas, you have installed
WIEN2k at /servernode1 [1]. In the examples of my previous
posts </font><font face="Times New Roman"><font face="Times New
Roman">(e.g. [2]) </font>you might find some typographical
errors were I forget to replace my </font><font face="Times New
Roman"><font face="Times New Roman">/home/username/WIEN2k with
your /servernode1.<br>
</font></font></p>
<p><font face="Times New Roman">It is best to have WIEN2k setup at a
common path location on all nodes [3,4] (i.e., your
vlsi1-vsli4). Therefore, I recommend to not have WIEN2k at
other locations among your system nodes like the <font
color="#ff0000">/home/username/WIEN2K</font> as you mentioned
below.<br>
</font></p>
[1]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19036.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19036.html</a><br>
[2]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19061.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19061.html</a><br>
[3]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17988.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17988.html</a><br>
[4]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09229.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09229.html</a><br>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 9/30/2019 12:59 AM, Peter Blaha
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:449225c2-008d-cf48-5ddf-02c610e05c82@theochem.tuwien.ac.at">So
there is progress as now the environment seems to be accepted in
the remote shell.
<br>
<br>
lapw1para (called by x_lapw, which is called by run_lapw -p)
creates the splitted klists-files (case.klist_1,...) and def files
lapw1_1.def,...
<br>
<br>
It uses the $cwd variable and executes basically:
<br>
<br>
ssh vlsi1 "cd $cwd; lapw1c lapw1_1.def "
<br>
<br>
Does this work on your computers ?
<br>
<br>
<br>
<br>
On 9/29/19 7:16 PM, Indranil mal wrote:
<br>
<blockquote type="cite">Now echo $WIENROOT is giving the $WIENROOT
location.
<br>
<br>
echo $WIENROOT/lapw*
<br>
<font color="#ff0000"><br>
/home/username/WIEN2K</font>/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
<br>
<br>
ssh vlsi1 'echo $WIENROOT/lapw*'
<br>
<br>
/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
<br>
<br>
<br>
However getting the same error
<br>
<br>
<br>
<br>
<br>
<blockquote type="cite"> stop error
<br>
</blockquote>
<br>
grep: *scf1*: No such file or directory
<br>
cp: cannot stat '.in.tmp': No such file or directory
<br>
FERMI - Error
<br>
grep: *scf1*: No such file or directory
<br>
Parallel.scf1_1: No such file or directory.
<br>
bash: fixerror_lapw: command not found
<br>
bash: lapw1c: command not found
<br>
bash: fixerror_lapw: command not found
<br>
bash: lapw1c: command not found
<br>
bash: fixerror_lapw: command not found
<br>
bash: lapw1c: command not found
<br>
bash: fixerror_lapw: command not found
<br>
bash: lapw1c: command not found
<br>
bash: fixerror_lapw: command not found
<br>
bash: lapw1c: command not found
<br>
bash: fixerror_lapw: command not found
<br>
bash: lapw1c: command not found
<br>
LAPW0 END
<br>
hup: Command not found.
<br>
<br>
<br>
and lapw2 error file
<br>
<br>
'LAPW2' - can't open unit: 30
<br>
'LAPW2' - filename: Parallel.energy_1
<br>
** testerror: Error in Parallel LAPW2
<br>
<br>
<br>
<br>
On Sat, Sep 28, 2019 at 11:58 PM Gavin Abo
<<a class="moz-txt-link-abbreviated" href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a> <a class="moz-txt-link-rfc2396E" href="mailto:gsabo@crimson.ua.edu"><mailto:gsabo@crimson.ua.edu></a>>
wrote:
<br>
<br>
The "sudo service sshd restart" step, which I forgot to copy
and
<br>
paste, that is missing is corrected below.
<br>
<br>
On 9/28/2019 12:18 PM, Gavin Abo wrote:
<br>
<blockquote type="cite">
<br>
After you set both "SendEnv *" and "AcceptEnv *", did you
restart
<br>
the sshd service [1]? The following illustrates steps
that might
<br>
help you verify that WIENROOT appears on a remote vlsi
node:
<br>
<br>
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>
<br>
</blockquote>
username@computername:~$ sudo service sshd restart
<br>
<blockquote type="cite">
<br>
username@computername:~$ ssh vlsi
<br>
...
<br>
username@computername:~$ echo $WIENROOT
<br>
/servernode1
<br>
username@computername:~$ exit
<br>
<br>
[1]
<br>
<a class="moz-txt-link-freetext" href="https://askubuntu.com/questions/462968/take-changes-in-file-sshd-config-file-without-server-reboot">https://askubuntu.com/questions/462968/take-changes-in-file-sshd-config-file-without-server-reboot</a><br>
<br>
On 9/28/2019 11:22 AM, Indranil mal wrote:
<br>
<blockquote type="cite"> Sir I have tried with " SetEnv * "
Still nothing is coming with
<br>
echo commad and user name by mistake I posted wrong
Otherwise no
<br>
issue with user name and I have set the parallel options
file
<br>
taksset "no" and remote options are 1 1 in server and
client
<br>
machines.
<br>
<br>
<br>
On Sat, 28 Sep 2019 11:36 Gavin Abo,
<<a class="moz-txt-link-abbreviated" href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>
<br>
<a class="moz-txt-link-rfc2396E" href="mailto:gsabo@crimson.ua.edu"><mailto:gsabo@crimson.ua.edu></a>> wrote:
<br>
<br>
<blockquote type="cite"> Respected Sir, In my
linux(Ubuntu 18.04 LTS) in ssh_config,
<br>
and in sshd_config there are two line already
"SendEnv LANG
<br>
LC_*" "AcceptEnv LANG LC_*" respectively.
<br>
</blockquote>
<br>
The "LANG LC_*" probably only puts just the local
language
<br>
variables in the remote environment. Did you follow
the
<br>
previous advice [1] of trying to use "*" to put all
variables
<br>
from the local environment?
<br>
<br>
[1]
<br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19049.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19049.html</a><br>
<br>
<blockquote type="cite"> However, ssh vsli1 'echo
$WIENROOT' gives nothing (blank).
<br>
</blockquote>
<br>
That seems to be the main cause of the problem as it
should
<br>
not return (blank) but needs to return
"/servernode1" as you
<br>
previously mentioned [2].
<br>
<br>
[2]
<br>
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19036.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg19036.html</a><br>
<br>
Perhaps the message below is a clue. It you had set
the
<br>
WIENROOT variable in .bashrc of your /home/vlsi
accounts on
<br>
each system, you likely have to login and use that
same
<br>
/home/vlsi account on the head node as the output
below seems
<br>
to indicate login to a different /home/niel account.
Alternatively, setting the WIENROOT variable in
.bashrc of
<br>
all /home/niel accounts on each node might work too.
<br>
<br>
<blockquote type="cite"> The command ssh vsli1
'pwd $WIENROOT' print "/home/vlsi"
<br>
the common home directory and
<br>
ssh vlsi1 "env"
<br>
...
<br>
USER=niel
<br>
PWD=/home/niel
<br>
HOME=/home/niel
<br>
...
<br>
this is similar as server, and other nodes.
<br>
<br>
Sir After changing the parallel option file in
$WIENROOT in
<br>
server to
<br>
<br>
setenv TASKSET *"yes" from "no"*
<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>
<br>
the error is not coming but the program is not
increasing
<br>
steps after lapw0 it stuck in lapw1
<br>
</blockquote>
<br>
Since it seemed to be throwing an appropriate error
message
<br>
with TASKSET previously unlike when set to "yes",
probably
<br>
you should change it back to "no".
<br>
</blockquote>
</blockquote>
</blockquote>
</blockquote>
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