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* Installation [#e7fefe8d]
Below how to compile OpenMX is described. We are supposed to use the latest version of OpenMX (3.9).

#Contents

** Prep [#g1721390]
Let us suppose we going to put the source code in ${HOME}/OpenMX/src.
First, create the source directory by typing 
 $ mkdir -p ~/OpenMX/src
in the home directory.
Then move to the directory as:
 $ cd ~/OpenMX/src
** Download [#b658e611]
In the source directory type
 $ wget http://t-ozaki.issp.u-tokyo.ac.jp/openmx3.9.tar.gz
and extract it by typing
 $ tar zxvf openmx3.9.tar.gz
We also download the patch (if available, depending on the version) as:
 $ wget http://www.openmx-square.org/bugfixed/20Feb11/patch3.9.2.tar.gz
** Applying the patch [#m3c74511]
Go to the source directory as:
 $ cd openmx3.9/source
and apply the patch (extract the patch file) as:
 $ tar zxvf ../../tar zxvf ../../patch3.9.2.tar.gz
For the patch for openmx3.9:
 $ mv kpoint.in ../work
See [[README.txt>http://www.openmx-square.org/bugfixed/20Feb11/README.txt]] for the detailed description and instruction 
Note that the path to patch depends on where you download the patch file.
** Editing makefile [#ye97f41a]

Go to the source directory and set the compiler and options in makefile as follows:~
- "smith" cluster
  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
- Numerical Materials Simulator
  CC = mpicc -O3 -xHOST -ip -no-prec-div -qopenmp
  FC = mpif90 -O3 -xHOST -ip -no-prec-div -qopenmp 
  LIB= -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_blacs_sgimpt_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.