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

[Hemza KHERIBOT]

Thank you all.
I use 'init_lapw' and follow all steps. I verify that all necessary files
for dstart are generated.

I follow Govin suggestion and fgenerate .machines file and execute 'x
dstart -p' and I think it solved my problem

On 22 February 2018 at 03:15, Gavin Abo <gsabo at crimson.ua.edu> wrote:

> 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
> ------------------
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