wien2k 18.2 installtion wiith gfortran and openblas updated video скачать в хорошем качестве

wien2k 18.2 installtion wiith gfortran and openblas updated video

This is the updated video for wien2k installtion some of the command and text used in installtion process is mentioned below. Run the following commands one by one. "Must install openblas and compile "openblas" with g fortran after gfortran installtion" For installtion of openblas watch the video give on the side bar. other wise use the following commands cd openblas make FC=gfortran sudo make install after finishing openblas run the following commands one by one run the gfortran command before installing openblas because for openblas compilation you will need gfortran sudo apt-get install update sudo apt-get install gfortran sudo apt-get install csh sudo apt-get install tcsh sudo apt-get install build-essential sudo apt-get install liblapack-dev sudo apt-get install libblas-dev "After these command must install openblas and compile with gfortran by using following commands cd openblas make FC=gfortran sudo make install after this follow the procedure for setting libraries" 2. tar -xvf WIEN2k_18.2.tar (skip this if you downloaded files separately) gunzip *.gz chmod +x ./expand_lapw ./expand_lapw ./siteconfig_lapw If the word too long appear than change the word csh to tcsh in "siteconfig" file in wien2k directory ./siteconfig_lapw system: choose LG gfortran+gotolib compiler: gfortran and cc ... -lblas -llapack -lpthread L Linker Flags: $(FOPT) -L../SRC_lib P Preprocessor flags '-DParallel' R R_LIBS (LAPACK+BLAS): -lblas -llapack -lpthread set the above R_libs (import step) Recommended options for system linuxgfortran are: Compiler options: -ffree-form -O2 -ffree-line-length-none Linker Flags: $(FOPT) -L../SRC_lib Preprocessor flags: '-DParallel' R_LIB (LAPACK+BLAS): -lblas -llapack -lpthread Current settings: O Compiler options: -ffree-form -O2 -ffree-line-length-none L Linker Flags: $(FOPT) -L../SRC_lib P Preprocessor flags '-DParallel' R R_LIBS (LAPACK+BLAS): -lblas -llapack -lpthread X LIBX options: PO Parallel options S Save and Quit Q Quit and abandon changes To change an item select option. Selection: .... ... ... 3. ./userconfig_lapw ... ... 4. source ~/.bashrc 5. w2web -p 7890 ## or port of choice 6. then go to http://localhost:7890/ in firefox or other browser remember, the first time you do w2web, just press enter. Don't change the default user name and password. change them after you first set it up #wien2k #installtion #wien2k18.2 #wien2k2018installtion #wien2kcompilation #dft #ab-initio #densityfunctionalthoery