[Wien] Fail to parallel calculation of lapw1 and lapw2 (testpara1 and testpara2)

[Peter Blaha]

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
> 
> 
> 
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> 

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