Created on Jul. 28, 2022.

• KSHELL official page: https://sites.google.com/alumni.tsukuba.ac.jp/kshell-nuclear/

The latest version is ver3.1 on Jul. 29, 2022. You can download kshell-20220610-ver3.1.tar.gz from Shimizu-san's web page. (Shimizu-san's Google drive: https://drive.google.com/file/d/1kTFX3ctUY9mNbmHRYbKF6Y7ktR2c4d5k/view?usp=sharing.) After downloading the file, place it in any directory. For example, you can make a directory named “kshell” in a directory “/home/username/local”and placed the tar.gz file in the directory.

$ mkdir /home/username/local
$ cd /home/username/local
$ mkdir kshell
$ cd kshell
$ mv <somewhere>/kshell-20220610-ver3.1.tar.gz ./
$ tar zxvf kshell-20220610-ver3.1.tar.gz
$ ls
kshell-20220610-ver3.1.tar.gz kshell-20220610-ver3.1
$ cd kshell-20220610-ver3.1
$ ls
bin  doc  snt  src  test

Then, compile the code in the directory “src”. On saho-a/saho-b, GCC FORTRAN compiler “gfortran” and Intel FORTRAN compiler “ifort” are available. In addition, probably IntelMPI is also available by using the Intel OpeAPI suite? The static libraries of GCC is not loaded by default, while you can find them in “/saho/sharedAPL/local/lib64/glibc-static_2.28-127”. This static libraries are not used in the following.

The compiler gfortran is available on saho-a/saho-b by default. The “Makefile” should be modified as follows.

$ cd /home/username/local/kshell-20220610-ver3.1/src
$ emacs Makefile

# --- Intel Fortran compiler, single node                                                                                    
FC = ifort
FFLAGS = -O2 -qopenmp -no-ipo
# FFLAGS =  -fast -qopenmp                                                                                                   
# FFLAGS =  -fast -qopenmp -no-ipo -check bounds -check pointers -check uninit -traceback                                    
# FFLAGS =  -g -check all -warn -traceback -debug all -p -no-ipo -qopenmp                                                    
# FFLAGS =  -g -check all -warn -traceback -debug all -p -no-ipo                                                             
# FFLAGS =  -g -check all -traceback -debug all -p -no-ipo                                                                   
LIBS = -qmkl # Intel Math Kernel Library for BLAS/LAPACK routines                                                            


# --- GNU Fortran compiler, single node                                                                                      
# FC = gfortran                                                                                                              
# FFLAGS = -O3 -fopenmp -fallow-argument-mismatch                                                                            
# LIBS = -llapack -lblas -lm


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# --- Intel Fortran compiler, single node                                                                                    
FC = ifort
FFLAGS = -O2 -qopenmp -no-ipo
# FFLAGS =  -fast -qopenmp                                                                                                   
# FFLAGS =  -fast -qopenmp -no-ipo -check bounds -check pointers -check uninit -traceback                                    
# FFLAGS =  -g -check all -warn -traceback -debug all -p -no-ipo -qopenmp                                                    
# FFLAGS =  -g -check all -warn -traceback -debug all -p -no-ipo                                                             
# FFLAGS =  -g -check all -traceback -debug all -p -no-ipo                                                                   
LIBS = -qmkl # Intel Math Kernel Library for BLAS/LAPACK routines                                                            


# --- GNU Fortran compiler, single node                                                                                      
# FC = gfortran                                                                                                              
# FFLAGS = -O3 -fopenmp -fallow-argument-mismatch                                                                            
# LIBS = -llapack -lblas -lm

Some parameters were changed in the input file in order to see the total calculation time.