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Will do. Thanks a lot.<br><br><div><div id="SkyDrivePlaceholder"></div>> Date: Mon, 23 Jan 2012 08:56:49 -0600<br>> From: L-marks@northwestern.edu<br>> To: wien@zeus.theochem.tuwien.ac.at<br>> Subject: Re: [Wien] (no subject)<br>> <br>> You are running lapw0 locally -- you do not have a "lapw0: ..." line<br>> in your file.<br>> <br>> Yes, you need to have password-less ssh, or use rsh to execute a<br>> remote command. Are you sysadmin? If not, talk to your sysadmin.<br>> <br>> 2012/1/23 Yin Wanjian <wanjianyin@hotmail.com>:<br>> > Dear Laurence,<br>> ><br>> > This is my .machines file<br>> ><br>> > #<br>> > granularity:1<br>> > 1:opt2126<br>> > 1:opt2126<br>> > 1:opt2126<br>> > 1:opt2126<br>> > 1:opt2126<br>> > 1:opt2126<br>> > 1:opt2126<br>> > 1:opt2126<br>> > extrafine:1<br>> ><br>> > I can ssh to opt2126 but I ne!
ed passwd. Do you mean I should have no passwd<br>> > to ssh. The Lapw0 is OK. Doesn't lapw0 run on opt2126?<br>> ><br>> > Best,<br>> > Wanjian<br>> ><br>> ><br>> >> Date: Mon, 23 Jan 2012 08:46:52 -0600<br>> >> From: L-marks@northwestern.edu<br>> >> To: wien@zeus.theochem.tuwien.ac.at<br>> >> Subject: Re: [Wien] (no subject)<br>> >><br>> >> N.B., you might al! so have specified the node names incorrectly.<br>> >><br>> >> On Mon, Jan 23, 2012 at 8:45 AM, Laurence Marks<br>> >> <L-marks@northwestern.edu> wrote:<br>> >> > You need to establish password-less ssh. Google how to do this.<br>> >> ><br>> >> > 2012/1/23 Yin Wanjian <wanjianyin@hotmail.com>:<br>> >> >><br>> >> >> Dear WIEN2K users,<br>> >> >><br>> >> >> I just compiled WIEN2k_!
09.2 on linux supercomputer using<br>> >> >> Intel-10.0
.023<br>> >> >> and mkl-10.0.023. There is no problem to compile all the excutable<br>> >> >> files.<br>> >> >> But When I tried to run the "run_lapw -p -i 40 -ec .001 -I". There is<br>> >> >> always<br>> >> >> something wrong as following in case.daylife file:<br>> >> >><br>> >> >> start (Sun Jan 22 21:46:17 EST 2012) with lapw0 (4/99 to go)<br>> >> >><br>> >> >> cycle 1 (Sun Jan 22 21:46:17 EST 2012) (4/9! 9 to go)<br>> >> >><br>> >> >>> lapw0 -p (21:46:17) starting parallel ! lapw0 at Sun Jan 22<br>> >> >>> 21:46:17<br>> >> >>> EST 2012<br>> >> >> -------- .machine0 : processors<br>> >> >> running lapw0 in single mode<br>> >> >> 2126.039u 3!
.150s 35:32.01 99.8% 0+0k 0+0io 11pf+0w<br>> >> >>> lapw1 -c -p (22:21:49) starting parallel lapw1 at Sun Jan 22<br>> >> >>> 22:21:49 EST 2012<br>> >> >> -> starting parallel LAPW1 jobs at Sun Jan 22 22:21:49 EST 2012<br>> >> >> running LAPW1 in parallel mode (using .machines)<br>> >> >> 8 number_of_parallel_jobs<br>> >> >> opt2126(1) opt2126(1) opt2126(1) opt2126(1)<br>> >> >> opt212!<br>> >> >> 6(1) opt2126(1) opt2126(1) &nb sp; opt2126(1) ** LAPW1<br>> >> >> crashed!<br>> >> >> 0.118u 0.595s 0:10.77 6! .4% 0+0k 0+0io 12pf+0w<br>> >> >> error: command /nfs/10/utl0325/software/Wien2K/!
WIEN2k/lapw1cpara -c<br>> >> >> lapw1.def failed
<br>> >> >><br>> >> >> The lapw0 could run. But lapw1 fails. The file of lapw1.error shows<br>> >> >><br>> >> >> LAPW0 END<br>> >> >> Host key verification failed.<br>> >> >> Host key verification failed.<br>> >> >> Host key verification failed.<br>> >> >> Host key verification failed.<br>> >> >> Host key verification failed.<br>> >> >> Host key verification failed.<br>> >> >> Host key verification failed.<br>> >> >> Host key verification failed.<br>> >> >> cat: No match.<br>> >> >><br>> >> >> Could you please tell me what's wrong here? I appreciate your help.<br>> >> >><br>> >> >> Best Regards,<br>> >> >> Wanjian Yin<br>> >> >><br>> >> >&g!
t; _! ______________________________________________<br>> >> >> Wien m ailing list<br>> >> >> Wien@zeus.theochem.tuwien.ac.at<br>> >> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>> >> >><br>> >> ><br>> >> ><br>> >> ><br>> >> > --<br>> >> > Professor Laurence Marks<br>> >> > Department of Materials Science and Engineering<br>> >> > Northwestern University<br>> >> > www.numis.northwestern.edu 1-847-491-3996<br>> >> > "Research is to see what everybody else has seen, and to think what<br>> >> > nobody else has thought"<br>> >> > Albert Szent-Gyorgi<br>> >><br>> >><br>> >><br>> >> --<br>> >> Professor Laurence Marks<br>> >> Department of Materials Science and Engineering<br>> >> Northwestern University<br>> !
>> www.numis.northwestern.edu 1-847-491-3996<br>> >> "R
esearch is to see what everybody else has seen, and to think what<br>> >> nobody else has thought"<br>> >> Albert Szent-Gyorgi<br>> >> _______________________________________________<br>> >> Wien mailing list<br>> >> Wie! n@zeus.theochem.tuwien.ac.at<br>> >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>> ><br>> > _______________________________________________<br>> > Wien mailing list<br>> > Wien@zeus.theochem.tuwien.ac.at<br>> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien<br>> ><br>> <br>> <br>> <br>> -- <br>> Professor Laurence Marks<br>> Department of Materials Science and Engineering<br>> Northwestern University<br>> www.numis.northwestern.edu 1-847-491-3996<br>> "Research is to see what everybody else has seen, and to think what<br>> nobody else has thought"<br>> Albert Szent-Gyorgi<br>> _________________________________!
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