Basic Installation

Procedure

Use PuTTY to log in to the server as the root user.
Run the following commands to decompress the VASP installation package:
```
cd /path/to/VASP
tar -xvf vasp.5.4.4.tar.gz
```
Run the following command to switch to the directory containing the decompressed files:
```
cd  vasp.5.4.4
```

Run the following commands to set environment variables:

export PATH=/path/to/GNU/bin:$PATH
export LD_LIBRARY_PATH=/path/to/GNU/lib64:$LD_LIBRARY_PATH
export PATH=/path/to/OPENMPI/bin:$PATH
export LD_LIBRARY_PATH=/path/to/OPENMPI/lib:/path/to/OPENBLAS/lib:/path/to/SCALAPACK: /path/to/FFTW/lib:$LD_LIBRARY_PATH

Run the following command to create and edit the makefile.include file:

Create a makefile.include file.
```
vi makefile.include
```

Press i to enter the insert mode and add the following content:

##Precompiler options
  CPP_OPTIONS= -DHOST=\"LinuxGNU\" \
              -DMPI -DMPI_BLOCK=8000 \
              -Duse_collective \
              -DscaLAPACK \
              -DCACHE_SIZE=5000 \
              -Davoidalloc \
              -Duse_bse_te \
              -Dtbdyn \
              -Duse_shmem
 CPP        = gcc -E -P -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS)
 FC         = mpif90
 FCL        = mpif90
 FREE       = -ffree-form -ffree-line-length-none
 FFLAGS     = -w
 OFLAG      = -O3 -ffp-contract=fast -fdec-math -ffpe-trap=invalid,zero,overflow -ffpe-summary=none
 OFLAG_IN   = $(OFLAG)
 DEBUG      = -O0
 LLIBS      = -L/path/to/SCALAPACK -lscalapack -L/path/to/OPENBLAS/lib -lopenblas
 FFTW       ?= /path/to/FFTW
 LLIBS      += -L$(FFTW)/lib -lfftw3
 INCS       = -I$(FFTW)/include
 OBJECTS    = fftmpiw.o fftmpi_map.o  fftw3d.o  fft3dlib.o
 OBJECTS_O1 += fftw3d.o fftmpi.o fftmpiw.o
 OBJECTS_O2 += fft3dlib.o
 # For what used to be vasp.5.lib
 CPP_LIB    = $(CPP)
 FC_LIB     = $(FC)
 CC_LIB     = mpicc
 CFLAGS_LIB = -O
 FFLAGS_LIB = -O1
 FREE_LIB   = $(FREE)
 OBJECTS_LIB= linpack_double.o getshmem.o
 # For the parser library
 CXX_PARS   = g++
 LIBS       += parser
 LLIBS      += -Lparser -lparser -lstdc++
 # Normally no need to change this
 SRCDIR     = ../../src
 BINDIR     = ../../bin

Ensure that no space exists at the end of a line or after a backslash (\).

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

Run the following commands to perform compilation and installation:
```
make std
```
If you need to generate vasp_gam and vasp_ncl, run the following command:
```
make all
```

Parent topic: Compiling and Installing VASP