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 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.		 1. Set fortran and C compiler.
  
 If you use bash shell, you can set fortran and c compiler:
{{{
$export FC=ifort
$export CC=gcc
$export CXX=g++
}}}
 Tips: If you ignored this step, the configure script will pick up the gfortran and gcc compiler as default.
Line 26: Line 28:
 2. Set blas and lapack library.
  . For flaxibality reason, we ask users to set blas and lapack libraries.
  {{{
  $export MATHLIB="-LMathLibDir -llapackname -lblasname"
  }}}		 2. Set blas and lapack library.
Line 32: Line 30:
 3. Configure BDF package.  For flaxibality reason, we ask users to set blas and lapack libraries.
{{{
$export MATHLIB="-LMathLibDir -llapackname -lblasname"
}}}

3. Configure BDF package.
Line 34: Line 37:
  After setting compiler and mathematic library. You can configure BDF by command configure in BDF root directory.
  {{{
  $./configure
  }}}		 After setting compiler and mathematic library. You can configure BDF by command configure in BDF root directory.
{{{
$./configure
}}}
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  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.
  }}}		 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.
}}}
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 4. Compile BDF package.
  {{{
  $make
  }}}		 4. Compile BDF package.
{{{
 $make
}}}
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  Some of BDF modules support parallel calculation. You can compiler BDF as parallel mode. At present, we support MPI and OpenMP.
  1. MPI and OpenMP hybrid.
  {{{
   $./configure --enable-parallel=yes
  }}}		 Some of BDF modules support parallel calculation. You can compiler BDF as parallel mode. At present, we support MPI and OpenMP.
Line 61: Line 60:
  1. Only MPI.
  {{{
   $./configure --enable-mpi=yes
  }}}		 1. MPI and OpenMP hybrid.
{{{
 $./configure --enable-parallel=yes
}}}
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  1. Only OpenMP.
  {{{
   $./configure --enable-openmp=yes
  }}}		 2. Only MPI.
{{{
 $./configure --enable-mpi=yes
}}}

3. Only OpenMP.
{{{
 $./configure --enable-openmp=yes
}}}
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  1. A 64bit machine with intel compiler and MKL library.
  {{{		 1. A 64bit machine with intel compiler and MKL library.
{{{
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  $export CXX=g++
Line 81: Line 86:
  }}} }}}
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  1. A Mac laptop with gfortran, gcc and user compiled lapack and blas library
  {{{		 2. A Mac laptop with gfortran, gcc and user compiled lapack and blas library
{{{
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  $export CXX=g++
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  }}} }}}
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  1. A Linux cluster with fort, icc, openmpi and intel MKL library.
  {{{
  Check MPI flags by using command
  		 3. A Linux cluster with fort, icc, openmpi and intel MKL library.

 Check MPI flags by using command
{{{
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  You may get such output.
   		 }}}

You may get such output.
{{{
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}}}
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  You can set BDF compiler and MPILIB as  You can compile bdf package as
{{{
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  $export CXX=icpc
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}}}
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  If you only want to evoke MPI, just use  If you only want to evoke MPI, just use
{{{
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  }}} }}}

Installation

Contents

  1. Installation
    1. System requirements
    2. Configure and compile BDF package
    3. Compile parallel bdf
    4. Examples of some typical installations
    5. Set system variables of BDF package

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
$export CXX=g++
  • 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.

1. MPI and OpenMP hybrid. 

 $./configure  --enable-parallel=yes

2. Only MPI. 

 $./configure  --enable-mpi=yes

3. 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 CXX=g++
  $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 CXX=g++
  $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 compile bdf package as 

  $export FC=ifort
  $export CC=icc
  $export CXX=icpc
  $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

Installation (last edited 2021-07-22 05:07:26 by bsuo)