Local build

Important

MILADY is built with CMake (≥ 3.24). The CMake workflow described on this page is the only supported and tested way to compile the code: the compilers and the MKL / ScaLapack / MPI libraries are detected automatically through the scripts/compile_milady.bash helper functions, so there is no Makefile to edit by hand.

The former, Makefile-based procedure is kept for reference on the Former build (Makefile) page.

Prerequisites

The current version of MILADY requires:

A fortran compiler (tested ifort > 2020.x.x, ifx > 2023.x.x, gfortran > 12.x.x)
The LAPACK / SCALAPACK library (tested MKL distribution > 19.x.x)
An MPI library (tested OpenMPI > 4.x.x or IntelMPI > 2020.x.x)
CMake (tested > 3.24.x)

and optionally:

The HDF5 library (Fortran interface) — only relevant if you enable the HDF5 I/O support.

Note

HDF5 I/O is optional and self-contained. By default MILADY compiles without HDF5. To enable it, export MLD_HDF5=ON before invoking CMake. Then:

if you set HDF5_DIR to a Fortran-enabled HDF5 build, that HDF5 is used;
otherwise MILADY builds its own bundled HDF5 (1.14.3) automatically (as a CMake ExternalProject), so no system HDF5 needs to be installed.

Note

Intel ``ifx`` is supported in addition to the classic ifort. You can build with ifx as long as the associated MPI and MKL / ScaLapack are compatible with it (e.g. mpiifx / a recent oneAPI). Use f_compile_milady_mix_ifx (instead of f_compile_milady_mix_ifort) to select the ifx compiler.

Compilation modes

MILADY has three compilation modes:

MILADY-MIX

intel compilers ifort or ifx (> 2022.0.1)
MKL with ScaLapack support
openmpi user-compiled, or system, compatible with intel compilers (> 4.x.x)

MILADY-INTEL

intel compilers (ifort / ifx) included in oneAPI distribution
MKL with ScaLapack support both of them included in the oneAPI distribution
intelmpi equally included in oneAPI distribution.

MILADY-GNU

GNU compilers (min V12)
MKL or LAPACK/ScaLapack support for GNU.
openmpi user-compiled, or system, gnu-compiled

Hint

Our preference is MILADY-MIX, using the intel fortran compiler and MKL / SCALAPACK provided by oneAPI (> 2022.x.x). OpenMPI (> 4.x.x) is compiled by our means using ifort compiler.

Compilation

Step 1: Setting environment variables

In the following, MILADY refers to the github repository.

Create a directory MLD and copy MILADY in that location. Hereafter, ${MLD} is the location of MLD directory.

Your environment should contain the following 9 variables, which are compulsory for the compilation MILADY

The first six variables:

export MLD_ROODIR=${MLD}
export MLD_SRCDIR=${MLD_ROODIR}/MILADY
export MLD_BUIDIR=${MLD_ROODIR}/mld_build
export MLD_INSDIR=${MLD_ROODIR}/mld_install
export MLD_TESDIR=${MLD_ROODIR}/mld_testdir
export MLD_SETENV=ON

Note

mld_build and mld_install will be created by the installation procedure, whilst mld_testdir is a directory of tests that is not compulsory (more details later).

The last 3 variables, followed by a redefinition of PATH:

export MKL_ROOT=${MKLROOT}
export OMP_INSDIR=/usr/local/iopenmpi
export OMP_ROOT=${OMP_INSDIR}
export PATH=${MLD_ROODIR}/MILADY/scripts:${PATH}

MKL_ROOT and OMP_INSDIR should contain the installation path to MKL and openMPI, respectively.

Tip

(Optional) It can be more convenient to set the environment variable using a bash function:

function f_setenv_milady_marinica {
  unset MLD_ROODIR
  unset MLD_SCRDIR
  unset MLD_SRCDIR
  unset MLD_BUIDIR
  unset MLD_INSDIR
  unset MLD_TESDIR
  unset MLD_SETENV
  unset OMP_INSDIR
  unset OMP_ROOT
  export MLD_ROODIR="${HOME}/MLD"
  export MLD_SRCDIR=${MLD_ROODIR}/ml.git
  export MLD_BUIDIR=${MLD_ROODIR}/mld_build
  export MLD_INSDIR=${MLD_ROODIR}/mld_install
  export MLD_TESDIR=${MLD_ROODIR}/mld_testdir


  export MKL_ROOT=${MKLROOT}
  export OMP_INSDIR=/usr/local/iopenmpi/
  export OMP_ROOT=/usr/local/iopenmpi/
  export MLD_MPI_INSDIR=/usr/local/iopenmpi/
  export MLD_MKL_LIB=${MKLROOT}

  export PATH=${MLD_SRCDIR}/scripts:${PATH}

  export MLD_SETENV=ON

}

Step 2: Compilation

Charge the bash functionalities:

source ${MLD_SRCDIR}/scripts/compile_milady.bash

with a typical output:

Now you could type:
f_setenv_milady
f_compile_milady_mix or
f_compile_milady_intel or
f_compile_milady_gnu

Invoke CMake (here in MILADY-MIX mode):
```
f_compile_milady_mix
```
Tip

In MIX mode you can pick the Intel compiler explicitly with f_compile_milady_mix_ifort (classic ifort) or f_compile_milady_mix_ifx (next-generation ifx), provided the associated MPI and MKL / ScaLapack are compatible with the chosen compiler.

with a typical output:
```
Now you could type:
make -j6
make install
f_ctest_milady
f_explore_milady
```
Compile the code (as suggested by the output of 2.)
```
make -j6 # will use 6 parallel jobs
```

THAT’S ALL FOLKS !!! The executable is in bin/milady_main.exe.

In order to test, run the step-by-step examples provided in the Examples section.