* Installation [#e7fefe8d] Below how to compile OpenMX is described. We are supposed to use the latest version of OpenMX (3.9). #Contents ** Prep [#g1721390] ** Download [#b658e611] ** Applying the patch [#m3c74511] ** Editing makefile [#ye97f41a] Go to the source directory and set the compiler and options in makefile as follows CC = mpiicc -O3 -xHOST -qopenmp -ip -no-prec-div -I$(MKLROOT)/include/fftw -axCOMMON-AVX512,CORE-AVX512,CORE-AVX2,CORE-AVX-I,AVX FC = mpiifort -O3 -xHOST -qopenmp -ip -no-prec-div -axCOMMON-AVX512,CORE-AVX512,CORE-AVX2,CORE-AVX-I,AVX LIB= -lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -mkl=parallel -lifcore ** Make [#q382e136] In the source directory (source/) type $ make ** Testing [#y4529da9] In the work/ directory, type $ mpirun -np 4 ../source/openmx --runtest or in other directory do the same. In the latter case, make sure that input_example is copied from the "work" directory.