[Wien] error in running .machines file
venkatesh chandragiri
venkyphysicsiitm at gmail.com
Thu Jun 14 20:19:10 CEST 2018
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=$LD_LIBRARY_PATH:/THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64
export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/impi/
5.0.2.044/intel64/lib
export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/home/renwei/venky/soft/libxc/lib
export
LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/home/renwei/venky/soft/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 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
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