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

[Gavin Abo]

Good to hear that your problem seems to be solved.

If you use serial mode "x dstart -p" again and encounter a problem, 
below is possibly an error message improvement for dstartpara_lapw that 
one could try.  It's the dstartpara_lapw.patch at: 
https://github.com/gsabo/WIEN2k-Patches/tree/master/17.1


*Before Patch*

username@computername:~/wiendata/test$ rm test.rsp
username@computername:~/wiendata/test$ init_lapw -s dstart
 next is dstart
 next is dstart
>   dstart -c -p    (07:05:28) running dstart in single mode
DSTART - Error
**  dstart crashed!
cat: No match.
0.0u 0.0s 0:00.02 0.0% 0+0k 0+56io 0pf+0w
error: command   /home/username/WIEN2k/dstartpara -c dstart.def failed
 n stop error n
username@computername:~/wiendata/test$ cat dstart.error
**  Error in Parallel dstart
**  dstart STOPPED at Sat Feb 24 07:05:28 MST 2018
**  check ERROR FILES!

*After Patch*

username@computername:~/wiendata/test$ cd $WIENROOT
username@computername:~/WIEN2k$ wget 
https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/17.1/dstartpara_lapw.patch

...
username@computername:~/WIEN2k$ patch -b dstartpara_lapw 
dstartpara_lapw.patch

patching file dstartpara_lapw
username@computername:~/WIEN2k$ cd ~/wiendata/test
username@computername:~/wiendata/test$ init_lapw -s dstart
...
username@computername:~/wiendata/test$ cat dstart.error
**  Error in Parallel dstart
**  dstart STOPPED at Sat Feb 24 07:09:48 MST 2018
**  check ERROR FILES!
 'DSTART' - can't open unit: 81
 'DSTART' -    filename: test.rsp
 'DSTART' -  status: old  form: formatted

On 2/24/2018 4:06 AM, Hemza KHERIBOT wrote:

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
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Re: [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  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@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 -1mpirun -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
> ---
> Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home)
> Skype: lyuka18 (office), lyuka17 (home)
> E-mail: lyuk...@mail.ru (office), lyuk...@gmail.com (home)
>
>
> ___
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> SEARCH the MAILING-LIST at:  http://www.mail-archive.com/
> wien@zeus.theochem.tuwien.ac.at/index.html
>
>
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Re: [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@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
---
Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home)
Skype: lyuka18 (office), lyuka17 (home)
E-mail: lyuk...@mail.ru (office), lyuk...@gmail.com (home)
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Re: [Wien] dstart error when run 'init_lapw' from terminal

[Lyudmila Dobysheva]

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
---
Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home)
Skype: lyuka18 (office), lyuka17 (home)
E-mail: lyuk...@mail.ru (office), lyuk...@gmail.com (home)
___
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[Wien] dstart error when run 'init_lapw' from terminal

[Hemza KHERIBOT]

Hi,

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


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). How to change this behaviour (I do not
intend to use parallel)

 I compiled Wien2k using gfortran and cc on my dual core laptop. The
compilation do not gives any error.

Regards
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