[Wien] dstart error when run 'init_lapw' from terminal

[Gavin Abo]

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 at 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 at computername:~/wien/test$ x dstart
DSTART ENDS
1.9u 0.0s 0:02.66 72.1% 0+0k 20040+504io 74pf+0w
username at 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 at computername:~/wien/test$ rm test.rsp
username at 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 at computername:~/wien/test$ x lstart
username at 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 at computername:~/wien/test$ echo "dstart: localhost localhost" > 
.machines
username at 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 at 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 at 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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