[Wien] Fwd: [RE]Re: Fail to parallel calculation of lapw1 and lapw2 (testpara1 and testpara2)

Sun Oct 28 16:53:38 CET 2018

Remove the config file.

Your username seems to be:  User

You don't want a     user localhost

localhost is the hostname, not the username.

-------- Weitergeleitete Nachricht --------
Betreff: 	[RE]Re: [Wien] Fail to parallel calculation of lapw1 and lapw2 
(testpara1 and testpara2)
Datum: 	Mon, 29 Oct 2018 00:48:47 +0900 (KST)
Von: 	Woohyeon Baek <wh8426 at knu.ac.kr>
An: 	pblaha at theochem.tuwien.ac.at

Dear Peter Blaha,

I set 'User localhost' in config file.

Sorry, I mistyped authorized_keys as key_authorized in mailing.

Anyway I retried

1. ssh-keygen –t rsa
2 .append .ssh/authorized_keys on remote host with id_rsa.pub of local host

In 'Installation of Wien2k, parallelization, large scale applications 
with WIEN2k' your presentation file.

But it still requires password.

-----------------------------------

[User at localhost .ssh]$ ssh localhost
localhost at 127.0.0.1's <mailto:localhost at 127.0.0.1's> password:

------------------------------------

Are there any more steps that I need to perform?

Sincerely,

Woohyeon Baek

> --------------------------------------- [ *Original Message* ] 
> --------------------------------------
> *Sender :* Peter Blaha < pblaha at theochem.tuwien.ac.at >
> *To :* wien at zeus.theochem.tuwien.ac.at
> *Date :* 2018-10-29 00:29:54
> *Subject :* Re: [Wien] Fail to parallel calculation of lapw1 and lapw2 
> (testpara1 and testpara2)
>
> You have User localhost in your config file ???
>
> localhost should be your hostname, but not a user ???
>
> I'd mv config to config_save (usually one does not need a config file).
>
> Try:
> ssh localhost
>
> can you login without a username/password ??
>
> If not, either the hostname is not supported, or your authorized_keys
> file (why key_authorized ???) is wrong.
>
>
>
>
>
> Am 28.10.2018 um 11:04 schrieb Woohyeon Baek:
> > Dear administraters or technicians of WIEN2k,
> >
> >
> >
> > Hello. I am an user of WIEN2k v17.1 and now upgraded to 18.2.
> >
> >
> >
> > (The specification of my nodes is 2 CPUs with 56 threads in total (Xeon
> > intel E5-2696 series) and CentOS 17.)
> >
> >
> > (I had no installation problems for ./siteconfig when I
> > compiled all with intel compilers with mpi, fftw, scalapack, mkl and
> > libxc library.)
> >
> >
> >
> > I have a problem of parallel calculation of lapw1 and lapw2 modules
> > through w2web with tunneling of putty.
> >
> >
> > (The input text and results are in below.)
> >
> >
> > When I tried to calculate my system, it showed constant error about 
> *bad
> > users or permissions* on config file.
> >
> >
> > When I check the archives and googles to solve, they said that the
> > problem is in authorizations. So
> >
> >
> > 1. I already did ssh-keygen command and appending key_authorized but it
> > did not make any difference.
> >
> >
> > 2. I tried changing authorities of config file by chmod and chown
> > commands but it did not worked. (I could not find different solutions
> > except this.)
> >
> >
> > 3. I checked the *.error files of testpara1 and 2 results and it just
> > shows nothing but Error without any comments.
> >
> >
> >
> > When I tried without parallization for small size system (only 1 job),
> > the calculation worked without problems.
> >
> >
> >
> > I also checked testpara of each lapw modules and lapw1 and 2 showed 
> errors.
> >
> >
> > It seems lapw1 runs without parallelization and lapw2 does not work.
> >
> >
> >
> > I would really appreciated if there has a way how to solve problems.
> >
> >
> > I am really thank you for your help in advance.
> >
> >
> >
> > (I used just 4 threads for test due to long sentences. Of course I 
> tried
> > using full threads but it did not worked.)
> >
> >
> >
> > *.machines file*
> >
> > -----------------------------
> >
> > granularity:1
> > 1:localhost:4    (I  tried my username but it did not worked. I also
> > tried 1:localhost, 1:localhost localhost:1 and 1:localhost 1:localhost)
> > lapw0:localhost:2 localhost:2
> > dstart:localhost:2 localhost:2
> > nlvdw:localhost:2 localhost:2
> >
> > ------------------------------
> >
> >
> > *~/.ssh/config*
> >
> > -------------------------
> >
> > Host    *
> >
> > HostName 0.0.0.0   (I also tried my fixed IP but it did not worked)
> >
> > User localhost
> >
> > ForwardX11Trusted yes
> >
> > GatewayPorts yes
> >
> > GSSAPIAuthentication yes
> >
> > -------------------------
> >
> >
> > *SCF results*
> >
> > 
> -----------------------------------------------------------------------------------------------------------------------------------------------------
> >
> > changing 1.in2c changing 1.in2_ls changing 1.in2_st changing 1.in2_sy
> > LAPW0 END [1] Done mpirun -np 4 -machinefile .machine0
> > /home/User/software/WIEN2K/lapw0_mpi lapw0.def >> .time00 DFTD3 END 
> *Bad
> > owner or permissions on /home/User/.ssh/config* [1] + Exit 255 ( 
> $remote
> > $remotemachine "cd $PWD;$t $ttt;rm -f .lock_$lockfile[$p]" ) >>
> > .time1_$loop cat: .time1_1: No such file or directory cat: .time1_1: No
> > such file or directory 1.scf1up_1: No such file or directory. cat: No
> > match. grep: No match. grep: No match. grep: No match. > stop error
> >
> > 
> ------------------------------------------------------------------------------------------------------------------------------
> >
> > *testpara*
> >
> > ------------------------------------------------------------
> >
> > #####################################################
> > # TESTPARA #
> > #####################################################
> >
> > Test: LAPW1 in parallel mode (using .machines)
> > Granularity set to 1
> > Extrafine unset
> > weights: 1
> > sumw: 1
> > k-points: 30
> >
> > klist: 30
> > machines: localhost
> > procs: 1
> > weigh(old): 1
> > sumw: 1
> > granularity: 1
> > weigh(new): 30
> >
> > Distribution of k-point (under ideal conditions)
> > will be:
> >
> > 1 : localhost(30) 30k
> >
> > -------------------------------------------------------
> >
> >
> > *testpara1*
> >
> > -------------------------------------------------------------
> >
> > ##################################################### # TESTPARA1 #
> > ##################################################### Sun Oct 28
> > 18:12:33 KST 2018 lapw1para is running 30 of 30 (100%) k-points
> > distributed localhost: running localhost: not running localhost: not
> > running localhost: not running
> > ------------------------------------------------------
> >
> > *testpara2*
> >
> > --------------------------------------------------------------
> >
> > #####################################################
> > # TESTPARA2 #
> > #####################################################
> >
> > Sun Oct 28 18:12:47 KST 2018
> >
> > lapw2para exited due to an ERROR
> > Check *.error files
> >
> > ---------------------------------------------------------------
> >
> >
> >
> > Sincerely,
> >
> >
> > Woohyeon Baek
> >
> >
> >
> > _______________________________________________
> > Wien mailing list
> > Wien at 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
> >
>
> -- 
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
> WWW:
> http://www.imc.tuwien.ac.at/tc_blaha------------------------------------------------------------------------- 
>
>
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