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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