Installation

System requirements

In principle, BDF supports all Unix-like platforms. However, we strongly propose you to use BDF at Linux platform together Intel Fortran and C compiler because BDF package is developed and thoroughly tested on such platforms. System requirements of BDF is summarized as following lines:

 OS: Linux, Mac, FreeBSD, Unix
 Compiler: Fortran 90 compiler such as Intel, gfortran, g95
 Support softwares: Python, make
 Parallel environments: MPI

Configure and compile BDF package

Several steps are needed to install BDF package.

1. Set fortran and C compiler.
   • If you use bash shell, you can set fortran and c compiler:

       $export FC=ifort
       $export CC=gcc

   • Tips: If you ignored this step, the configure script will pick up the gfortran and gcc compiler as default.
2. Set blas and lapack library.
   • For flaxibality reason, we ask users to set blas and lapack libraries.

       $export MATHLIB="-LMathLibDir -llapackname -lblasname"

3. Configure BDF package.
   • After setting compiler and mathematic library. You can configure BDF by command configure in BDF root directory.

       $./configure

     Configure support several parameters.

       --enable-debug=yes[no]     Compile BDF in debug mode.
       --enable-i8=yes[no]            Compile BDF with 64 bit integrals.
       --enable-openmp=yes[no]  Compile BDF with OpenMP supporting.
       --enable-mpi=yes[no]         Compile BDF with MPI supporting.
       --enable-parallel=yes[no]   Compiler BDF with MPI and OpenMP support.

4. Compile BDF package.

   •   $make 

Compile parallel bdf

• Some of BDF modules support parallel calculation. You can compiler BDF as parallel mode. At present, we support MPI and OpenMP.
• MPI and OpenMP hybrid.

     $./configure  --enable-parallel=yes

• Only MPI.

     $./configure  --enable-mpi=yes

• Only OpenMP.

     $./configure  --enable-openmp=yes

Examples of some typical installations

1. A 64bit machine with intel compiler and MKL library.

     $export FC=ifort
     $export CC=gcc
     $export MATHLIB="-lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lpthread"
     $./configure --enabale-i8=yes --enable-openmp=yes
     $make

2. A Mac laptop with gfortran, gcc and user compiled lapack and blas library

     $export FC=gfortran 
     $export CC=gcc 
     $export MATHILIB="-L/Users/mike/mathlib -lblas -llapack" 
     $./configure --enabale-i8=yes --enable-openmp=yes 
     $make

3. A Linux cluster with fort, icc, openmpi and intel MKL library.

     Check MPI flags by using command
     
     $mpif90 --shownme
    
     You may get such output.
      
     ifort -I/opt/openmpi/include -I/opt/openmpi/lib -L/opt/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -Wl,--export-dynamic -lrt -lnsl -lutil
   
     You can set BDF compiler and MPILIB as
   
     $export FC=ifort
     $export CC=icc
     $export MATHLIB="-lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lpthread"
     $export MPILIB="-I/opt/openmpi/include -I/opt/openmpi/lib -L/opt/openmpi/lib -lmpi_f90 -lmpi_f77 -lmpi -ldl -lm -Wl,--export-dynamic -lrt -lnsl -lutil"
     $./configure --enabale-i8=yes --enable-parallel=yes
     $make
   
     If you only want to evoke MPI, just use
   
     $./configure --enabale-i8=yes --enable-mpi=yes

Set system variables of BDF package