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 <gs...@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@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) > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/ > wien@zeus.theochem.tuwien.ac.at/index.html > >
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