[Wien] error in running .machines file

[Laurence Marks]

If I understand you email correctly, the lines

"/THFS/home/renwei/venky/soft/wien2k/lapw0_mpi: error while loading shared
libraries: libmpifort.so.12: cannot open shared object file: No such file
or directory
 /THFS/home/renwei/venky/soft/wien2k/lapw0_mpi: error while loading shared
libraries: libmpifort.so.12: cannot open shared object file: No such file
or directory

/THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/bin/mklvars.sh: line 118:
manpath: command not found"

appear when the task fails. This means that, as the lines say, the shared
libraries are not present on the computer you are connecting to via ssh
and/or the path has not been exported.



On Thu, Jun 14, 2018 at 3:37 PM, venkatesh chandragiri <
venkyphysicsiitm at gmail.com> wrote:

>
> Dear wien2k users,
>
> I forgot to mention in my earlier mail that I have already have .ssh
> folder in the server where wien2k installed and already copied the key in
> the id_rsa.pub file to authorized_keys file . But I don't know why the
> second error (when I used .machines file without lapw0 line) came
>
>
> ================ error without including lapw0 line ==========
>
>  LAPW0 END
>  read identiti failed: Success
>  ssh_exchange_identification: Connection closed by remote host^M
>  read identiti failed: Success
>  ssh_exchange_identification: Connection closed by remote host^M
>  read identiti failed: Success
> =================================================
>
> [renwei at ln3 ~/.ssh]$ ls -la
> total 32
> drwx------  2 renwei renwei  4096 Jun 15 04:10 .
> drwx------ 44 renwei renwei  4096 Jun 15 04:10 ..
> -rw-------  1 renwei renwei  1200 May 19 13:46 authorized_keys
> -rw-------  1 renwei renwei  1675 May 17 13:44 id_rsa
> -rw-r--r--  1 renwei renwei   392 May 17 13:44 id_rsa.pub
> -rw-r--r--  1 renwei renwei 11641 Jun 14 10:45 known_hosts
>
> do I need to change the permission between the authorized_keys &
> id_rsa.pub ...?
>
> thanks
>
> venkatesh
>
> On Thu, Jun 14, 2018 at 11:49 PM, venkatesh chandragiri <
> venkyphysicsiitm at gmail.com> wrote:
>
>> Dear wien2k users,
>>
>> Although, I have successfully completed "init_lapw". I got errors when
>> runned the .machines one with including the lapw0 line and the other
>> without including it.
>>
>> I have already kept the all the linking paths in .bashrc file which are
>> given below,
>>
>> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/opt/intel/comp
>> oser_xe_2013_sp1.3.174/mkl/lib/intel64
>> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/impi/5.0.2.044/
>> intel64/lib
>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__5.0.2.044_intel64_lib&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=xWUaYuidK0A-UYTahq800UWG62rI6WBjzYxUGzTC-Wk&s=-OaHWwyxoW2EGEprMIy_k29Mczl1zNKJzlPD-rkq8xw&e=>
>> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/home/renwei/venky/sof
>> t/libxc/lib
>> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/home/renwei/venky/sof
>> t/fftw/lib
>> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/lib64
>> export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/lib/intel64
>> source /THFS/opt/intel/composer_xe_2013_sp1.3.174/bin/compilervars.sh
>> intel64
>> source /THFS/opt/intel/composer_xe_2013_sp1.3.174/bin/ifortvars.sh
>> intel64
>> source /THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/bin/mklvars.sh
>> intel64
>> source /THFS/opt/intel/impi/5.0.2.044/intel64/bin/mpivars.sh
>> <https://urldefense.proofpoint.com/v2/url?u=http-3A__5.0.2.044_intel64_bin_mpivars.sh&d=DwMFaQ&c=yHlS04HhBraes5BQ9ueu5zKhE7rtNXt_d012z2PA6ws&r=U_T4PL6jwANfAy4rnxTj8IUxm818jnvqKFdqWLwmqg0&m=xWUaYuidK0A-UYTahq800UWG62rI6WBjzYxUGzTC-Wk&s=djvS-4ueW1GnzAkeeE5PlN4ZPj7__7_CLqPZR5ONaII&e=>
>> intel64
>>
>> ================ error with including lapw0 line ==========
>>
>>
>>   **  LAPW1 crashed!
>>  1.909u 4.983s 0:12.42 55.3% 0+0k 0+4416io 0pf+0w
>>  error: command   /THFS/home/renwei/venky/soft/wien2k/lapw1cpara -up -c
>> uplapw1.def   failed
>>
>> =====error==========
>>  begin time is Thu Jun 14 09:25:19 CST 2018
>>
>>  /THFS/home/renwei/venky/soft/wien2k/lapw0_mpi: error while loading
>> shared libraries: libmpifort.so.12: cannot open shared object file: No such
>> file or directory
>>  /THFS/home/renwei/venky/soft/wien2k/lapw0_mpi: error while loading
>> shared libraries: libmpifort.so.12: cannot open shared object file: No such
>> file or directory
>>
>> /THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/bin/mklvars.sh: line 118:
>> manpath: command not found
>>
>> ====================
>>
>>
>> ================ error without including lapw0 line ==========
>>
>>  LAPW0 END
>>  read identiti failed: Success
>>  ssh_exchange_identification: Connection closed by remote host^M
>>  read identiti failed: Success
>>  ssh_exchange_identification: Connection closed by remote host^M
>>  read identiti failed: Success
>> =================================================
>>
>> Can someone help me to run the calculations and find out the reasons for
>> the above errors.
>>
>> thank you
>>
>> venkatesh
>>
>>
>


-- 
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu ; Corrosion in 4D: MURI4D.numis.northwestern.edu
Partner of the CFW 100% program for gender equity, www.cfw.org/100-percent
Co-Editor, Acta Cryst A
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