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