Compiling and Installing MiniDFT

Procedure

Use PuTTY to log in to the server as the root user.
Run the following commands to decompress the MiniDFT installation package:
```
tar -xzvf MiniDFT-MiniDFT-1.1.1.tar.gz
```
Run the following command to switch to the directory generated after the package is decompressed:
```
cd MiniDFT-MiniDFT-1.1.1/src
```

Run the following commands to modify the Makefile file:

Open Makefile.
```
vi Makefile
```

Press i to enter the insert mode and modify the file as follows:

FFTW_INCL = -I/path/to/FFTW/include
FFTW_LIBS   = /path/to/SCALAPACK/libscalapack.a -Wl,--start-group /path/to/FFTW /lib/libfftw3.a /path/to/FFTW/lib/libfftw3_threads.a /path/to/OPENBLAS/lib/libopenblas.a -Wl,--end-group

OPENBLAS_INC = -I/path/to/OPENBLAS/include
OPENBLAS_LIB = /path/to/OPENBLAS/lib

SCALAPACK_LIBS = /path/to/SCALAPACK/libscalapack.a

CC = mpicc

CFLAGS = -D__FFTW3 -D_para11e1 -D_SCALAPACK

FC = mpifort
FFLAGS = -cpp -no-pie

LD = mpifort

DFLAGS    += -D__OPENMP

FFLAGS    += -fopenmp
LDFLAGS   += -fopenmp

include Makefile.base

Press Esc, type :wq!, and press Enter to save the file and exit.

Run the following commands to perform compilation and installation:
```
make
```

Parent topic: MiniDFT 1.1.1 Porting Guide (CentOS 7.6)