<div dir="ltr">Thank you all.<div>I use 'init_lapw' and follow all steps. I verify that all necessary files for dstart are generated.</div><div><br></div><div>I follow Govin suggestion and fgenerate .machines file and execute 'x dstart -p' and I think it solved my problem</div></div><div class="gmail_extra"><br><div class="gmail_quote">On 22 February 2018 at 03:15, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<p><font face="Times New Roman">The reason init_lapw uses "-p" for
dstart is likely so that the program can autodetect whether or
not dstart should run in serial or parallel mode.</font></p>
<p>As shown below, you should see it runs dstart in serial mode just
fine without or with "-p":<br>
</p>
username@computername:~/wien/<wbr>test$ ls -l<br>
total 60<br>
-rwxr-xr-x 1 username group 185 Feb 21 11:17 test.in0<br>
-rwxr-xr-x 1 username group 634 Feb 21 11:17 test.in1c<br>
-rwxr-xr-x 1 username group 297 Feb 21 11:17 test.in2c<br>
-rwxr-xr-x 1 username group 282 Feb 21 11:17 test.inst<br>
-rwxr-xr-x 1 username group 37146 Feb 21 11:20 test.rsp<br>
-rwxr-xr-x 1 username group 2510 Feb 21 11:20 test.struct<br>
username@computername:~/wien/<wbr>test$ x dstart<br>
DSTART ENDS<br>
1.9u 0.0s 0:02.66 72.1% 0+0k 20040+504io 74pf+0w<br>
username@computername:~/wien/<wbr>test$ x dstart -p<br>
running dstart in single mode <font color="#ff0000"><- This
means it's actually running as just "x dstart", because it
autodetected that there was no .machines with "dstart:".</font><br>
DSTART ENDS<br>
1.9u 0.0s 0:01.91 100.0% 0+0k 40+512io 0pf+0w<br>
<br>
The error you have might be because one of the input files test.in0,
test.in1(c), test.in2(c), test.rsp, or test.struct needed by dstart
is missing.<br>
<br>
For example, purposely removing the test.rsp file seems to give the
same error message:<br>
<br>
username@computername:~/wien/<wbr>test$ rm test.rsp<br>
username@computername:~/wien/<wbr>test$ x dstart -p<span class=""><br>
running dstart in single mode<br></span><span class="">
DSTART - Error<br>
** dstart crashed!<br>
cat: No match.<br></span>
0.0u 0.0s 0:00.03 100.0% 0+0k 0+48io 0pf+0w<br>
error: command /home/username/WIEN2k/<wbr>dstartpara -c dstart.def
failed<br>
<br>
The test.rsp is recreated with lstart (as shown on page 35 in "Table
4.1: Input and output files of init programs" of the WIEN2k 17.1 UG
[
<a class="m_-6154948488068538329moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf" target="_blank">http://susi.theochem.tuwien.<wbr>ac.at/reg_user/textbooks/<wbr>usersguide.pdf</a>
]):<br>
<br>
username@computername:~/wien/<wbr>test$ x lstart<br>
username@computername:~/wien/<wbr>test$ ls -l test.rsp<br>
-rw-r--r-- 1 username group 37146 Feb 21 19:14 test.rsp<br>
<br>
To run dstart in parallel mode, one needs a .machines file with a
"dstart:" line:<br>
<br>
username@computername:~/wien/<wbr>test$ echo "dstart: localhost
localhost" > .machines<br>
username@computername:~/wien/<wbr>test$ x dstart -p<br>
starting parallel dstart at Wed Feb 21 19:15:15 MST 2018 <font color="#ff0000"><- This means it's trying to run as "x dstart
-p"</font><br>
-------- .machine0 : 2 processors<br>
[1] 2476<br>
[proxy:0:0@computername] HYDU_create_process
(./utils/launch/launch.c:75): execvp error on file
/home/username/WIEN2k/dstart_<wbr>mpi (No such file or directory) <font color="#ff0000"><- Yes, it shows that parallel dstart did not
run correctly on my system. That is just because I purposely
selected in siteconfig to not compile WIEN2k to use mpi.</font><br>
[proxy:0:0@computername] HYDU_create_process
(./utils/launch/launch.c:75): execvp error on file
/home/username/WIEN2k/dstart_<wbr>mpi (No such file or directory)<br>
[1] Exit -1 mpirun -np 2
/home/username/WIEN2k/dstart_<wbr>mpi dstart.def >> .time00<br>
0.0u 0.0s 0:01.28 10.1% 0+0k 2248+64io 6pf+0w<div><div class="h5"><br>
<br>
<div class="m_-6154948488068538329moz-cite-prefix">On 2/21/2018 8:14 AM, Lyudmila
Dobysheva wrote:<br>
</div>
<blockquote type="cite">21.02.2018
17:55, Hemza KHERIBOT wrote:
<br>
<blockquote type="cite">I'm testing with Wien2k tying to use
terminal for initialization I always get this error:
<br>
next is dstart
<br>
> dstart -p (14:44:25) running dstart in single mode
<br>
STOP DSTART - Error
<br>
** dstart crashed!
<br>
cat: No match.
<br>
0.032u 0.002s 0:00.05 60.0% 0+0k 0+40io 0pf+0w
<br>
error: command /home/user/WIEN2k/dstartpara -c dstart.def
failed
<br>
\n stop error \n
<br>
</blockquote>
<br>
1. There should be file dstart.error
<br>
What it contains?
<br>
<br>
2. There should be files created by dstart, are there any?
<br>
<br>
3. What about previous programs of the initialization (nn,
setrmt...)? Do they work normally?
<br>
<br>
<blockquote type="cite">I usually resume this step using w2web (no
error). lookign at :log I find that w2web invokes dstart without
'-p', why command line init_lap invoke dstart with '-p'
(dstartpara).
<br>
</blockquote>
<br>
I think this is not important.
<br>
<br>
Best wishes
<br>
Lyudmila Dobysheva
<br>
------------------
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<br>
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
<br>
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<br>
Russia
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<br>
</blockquote>
</div></div></div>
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