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<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/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/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/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/test$ rm test.rsp<br>
username@computername:~/wien/test$ x dstart -p<br>
running dstart in single mode<br>
DSTART - Error<br>
** dstart crashed!<br>
cat: No match.<br>
0.0u 0.0s 0:00.03 100.0% 0+0k 0+48io 0pf+0w<br>
error: command /home/username/WIEN2k/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="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a>
]):<br>
<br>
username@computername:~/wien/test$ x lstart<br>
username@computername:~/wien/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/test$ echo "dstart: localhost
localhost" > .machines<br>
username@computername:~/wien/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_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_mpi (No such file or directory)<br>
[1] Exit -1 mpirun -np 2
/home/username/WIEN2k/dstart_mpi dstart.def >> .time00<br>
0.0u 0.0s 0:01.28 10.1% 0+0k 2248+64io 6pf+0w<br>
<br>
<div class="moz-cite-prefix">On 2/21/2018 8:14 AM, Lyudmila
Dobysheva wrote:<br>
</div>
<blockquote type="cite"
cite="mid:8e8da9a3-b9e6-48de-0411-c3ecece3bf1e@mail.ru">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>
------------------
<br>
Physics-Techn.Institute,
<br>
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
<br>
426000 Izhevsk Kirov str. 132
<br>
Russia
<br>
---
<br>
Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home)
<br>
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<br>
</blockquote>
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