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.
As shown below, you should see it runs dstart in serial mode just fine
without or with "-p":
username@computername:~/wien/test$ ls -l
total 60
-rwxr-xr-x 1 username group 185 Feb 21 11:17 test.in0
-rwxr-xr-x 1 username group 634 Feb 21 11:17 test.in1c
-rwxr-xr-x 1 username group 297 Feb 21 11:17 test.in2c
-rwxr-xr-x 1 username group 282 Feb 21 11:17 test.inst
-rwxr-xr-x 1 username group 37146 Feb 21 11:20 test.rsp
-rwxr-xr-x 1 username group 2510 Feb 21 11:20 test.struct
username@computername:~/wien/test$ x dstart
DSTART ENDS
1.9u 0.0s 0:02.66 72.1% 0+0k 20040+504io 74pf+0w
username@computername:~/wien/test$ x dstart -p
running dstart in single mode <- This means it's actually running as
just "x dstart", because it autodetected that there was no .machines
with "dstart:".
DSTART ENDS
1.9u 0.0s 0:01.91 100.0% 0+0k 40+512io 0pf+0w
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.
For example, purposely removing the test.rsp file seems to give the same
error message:
username@computername:~/wien/test$ rm test.rsp
username@computername:~/wien/test$ x dstart -p
running dstart in single mode
DSTART - Error
** dstart crashed!
cat: No match.
0.0u 0.0s 0:00.03 100.0% 0+0k 0+48io 0pf+0w
error: command /home/username/WIEN2k/dstartpara -c dstart.def failed
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 [
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf ]):
username@computername:~/wien/test$ x lstart
username@computername:~/wien/test$ ls -l test.rsp
-rw-r--r-- 1 username group 37146 Feb 21 19:14 test.rsp
To run dstart in parallel mode, one needs a .machines file with a
"dstart:" line:
username@computername:~/wien/test$ echo "dstart: localhost localhost" >
.machines
username@computername:~/wien/test$ x dstart -p
starting parallel dstart at Wed Feb 21 19:15:15 MST 2018 <- This means
it's trying to run as "x dstart -p"
-------- .machine0 : 2 processors
[1] 2476
[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) <- 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.
[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)
[1] Exit -1 mpirun -np 2
/home/username/WIEN2k/dstart_mpi dstart.def >> .time00
0.0u 0.0s 0:01.28 10.1% 0+0k 2248+64io 6pf+0w
On 2/21/2018 8:14 AM, Lyudmila Dobysheva wrote:
21.02.2018 17:55, Hemza KHERIBOT wrote:
I'm testing with Wien2k tying to use terminal for initialization I
always get this error:
next is dstart
> dstart -p (14:44:25) running dstart in single mode
STOP DSTART - Error
** dstart crashed!
cat: No match.
0.032u 0.002s 0:00.05 60.0% 0+0k 0+40io 0pf+0w
error: command /home/user/WIEN2k/dstartpara -c dstart.def failed
\n stop error \n
1. There should be file dstart.error
What it contains?
2. There should be files created by dstart, are there any?
3. What about previous programs of the initialization (nn, setrmt...)?
Do they work normally?
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).
I think this is not important.
Best wishes
Lyudmila Dobysheva
------------------
Physics-Techn.Institute,
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
426000 Izhevsk Kirov str. 132
Russia
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