Re: [Wien] dstart error when run 'init_lapw' from terminal
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 (hom
[Wien] dstart error when run 'init_lapw' from terminal
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 ___ 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
Re: [Wien] line intact
the link in the mail from wien mailing list telling you that you subscription is disabled or go here: http://zeus.theochem.tuwien.ac.at/mailman/options/wien <http://zeus.theochem.tuwien.ac.at/mailman/options/wien/halim_said04%40yahoo.fr> enter your creditials (email and passsword used to subscribe in the mailing list) and renable your subscription. you can also change other options. But you recieved my mail via wien mailing list, and i recieve your enswer. so i think your subscription is ok. Best regards On 14 February 2018 at 06:31, ahmad gharleghi wrote: > Hello, > May you please let me know which link should I fellow? > > Thanks, > > Ahmad > > On Tue, Feb 13, 2018 at 6:59 PM, Hemza KHERIBOT > wrote: > >> fellow the linkin the mail. You have exposed your password, So change it. >> >> On 13 February 2018 at 10:37, ahmad gharleghi >> wrote: >> >>> >>> Hello, >>> >>> Please re-enable my membership to the mailing list of Wien. >>> >>> Thanks, >>> >>> Ahmad Gharleghi >>> >>> >>> >>> >>> On Tue, Feb 13, 2018 at 11:26 AM, novakp wrote: >>> >>>> On 2018-02-13 04:50, halim said wrote: >>>> >>>>> Le Samedi 10 février 2018 2h06, >>>>> "wien-requ...@zeus.theochem.tuwien.ac.at" >>>>> a écrit : >>>>> >>>>> Your membership in the mailing list Wien has been disabled due to >>>>> >>>>> excessive bounces The last bounce received from you was dated >>>>> >>>>> 09-Feb-2018. You will not get any more messages from this list until >>>>> >>>>> you re-enable your membership. You will receive 1 more reminders like >>>>> >>>>> this before your membership in the list is deleted. >>>>> >>>>> To re-enable your membership, you can simply respond to this message >>>>> >>>>> (leaving the Subject: line intact), or visit the confirmation page at >>>>> >>>>> >>>>> http://zeus.theochem.tuwien.ac.at/mailman/confirm/wien/b5f70 >>>>> 71692267cc97d906fdf2c8dc3b01bab99c9 >>>>> >>>>> You can also visit your membership page at >>>>> >>>>> >>>>> http://zeus.theochem.tuwien.ac.at/mailman/options/wien/halim >>>>> _said04%40yahoo.fr >>>>> >>>>> On your membership page, you can change various delivery options such >>>>> >>>>> as your email address and whether you get digests or not. As a >>>>> >>>>> reminder, your membership password is >>>>> >>>>> freedoms71 >>>>> >>>>> If you have any questions or problems, you can contact the list owner >>>>> >>>>> at >>>>> >>>>> wien-ow...@zeus.theochem.tuwien.ac.at >>>>> ___ >>>>> 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 >>>>> >>>> ___ >>>> 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/wi >>>> e...@zeus.theochem.tuwien.ac.at/index.html >>>> >>> >>> >>> ___ >>> 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/wi >>> e...@zeus.theochem.tuwien.ac.at/index.html >>> >>> >> >> ___ >> 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/wi >> e...@zeus.theochem.tuwien.ac.at/index.html >> >> > > ___ > 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 > > ___ 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
Re: [Wien] line intact
fellow the linkin the mail. You have exposed your password, So change it. On 13 February 2018 at 10:37, ahmad gharleghi wrote: > > Hello, > > Please re-enable my membership to the mailing list of Wien. > > Thanks, > > Ahmad Gharleghi > > > > > On Tue, Feb 13, 2018 at 11:26 AM, novakp wrote: > >> On 2018-02-13 04:50, halim said wrote: >> >>> Le Samedi 10 février 2018 2h06, >>> "wien-requ...@zeus.theochem.tuwien.ac.at" >>> a écrit : >>> >>> Your membership in the mailing list Wien has been disabled due to >>> >>> excessive bounces The last bounce received from you was dated >>> >>> 09-Feb-2018. You will not get any more messages from this list until >>> >>> you re-enable your membership. You will receive 1 more reminders like >>> >>> this before your membership in the list is deleted. >>> >>> To re-enable your membership, you can simply respond to this message >>> >>> (leaving the Subject: line intact), or visit the confirmation page at >>> >>> >>> http://zeus.theochem.tuwien.ac.at/mailman/confirm/wien/b5f70 >>> 71692267cc97d906fdf2c8dc3b01bab99c9 >>> >>> You can also visit your membership page at >>> >>> >>> http://zeus.theochem.tuwien.ac.at/mailman/options/wien/halim >>> _said04%40yahoo.fr >>> >>> On your membership page, you can change various delivery options such >>> >>> as your email address and whether you get digests or not. As a >>> >>> reminder, your membership password is >>> >>> freedoms71 >>> >>> If you have any questions or problems, you can contact the list owner >>> >>> at >>> >>> wien-ow...@zeus.theochem.tuwien.ac.at >>> ___ >>> 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 >>> >> ___ >> 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/wi >> e...@zeus.theochem.tuwien.ac.at/index.html >> > > > ___ > 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 > > ___ 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
