<div dir="ltr"><div>Dear wien2k users,</div><div><br></div><div>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. </div><div><br></div><div>I have already kept the all the linking paths in .bashrc file which are given below,</div><div><br></div><div>export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/lib/intel64<br>export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/impi/<a href="http://5.0.2.044/intel64/lib">5.0.2.044/intel64/lib</a><br>export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/home/renwei/venky/soft/libxc/lib<br>export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/THFS/home/renwei/venky/soft/fftw/lib<br>export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/lib64<br>export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/intel/lib/intel64<br>source /THFS/opt/intel/composer_xe_2013_sp1.3.174/bin/compilervars.sh intel64<br>source /THFS/opt/intel/composer_xe_2013_sp1.3.174/bin/ifortvars.sh intel64<br>source /THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/bin/mklvars.sh intel64<br>source /THFS/opt/intel/impi/<a href="http://5.0.2.044/intel64/bin/mpivars.sh">5.0.2.044/intel64/bin/mpivars.sh</a> intel64</div><div><br></div><div>================ error with including lapw0 line ==========</div><div><br></div><div><br></div><div>  **  LAPW1 crashed!<br> 1.909u 4.983s 0:12.42 55.3% 0+0k 0+4416io 0pf+0w<br> error: command   /THFS/home/renwei/venky/soft/wien2k/lapw1cpara -up -c uplapw1.def   failed<br></div><div><br></div><div>=====error==========</div><div> begin time is Thu Jun 14 09:25:19 CST 2018</div><div><br> /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<br> /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</div><div><br></div><div>/THFS/opt/intel/composer_xe_2013_sp1.3.174/mkl/bin/mklvars.sh: line 118: manpath: command not found</div><div><br></div><div>====================</div><div><br></div><div><br></div><div>================ error without including lapw0 line ==========</div><p> LAPW0 END<br> read identiti failed: Success<br> ssh_exchange_identification: Connection closed by remote host^M<br> read identiti failed: Success<br> ssh_exchange_identification: Connection closed by remote host^M<br> read identiti failed: Success<br></p><div>=================================================<br></div><div><br></div><div>Can someone help me to run the calculations and find out the reasons for the above errors.</div><div><br></div><div>thank you</div><div><br></div><div>venkatesh</div><div><br></div></div>