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Intro to module

In order to simplify cluster software management (for dependencies e.t.c.) the module software is used. Usage is pretty simple

  • You can see a list of installed modules via module avail or use shortcut ml avail.
  • To check what is loaded use module list or ml
  • To load something use module load PACKAGE or ml PACKAGE
  • To clean your module environment type module purge

You can also use module environment in your batch scripts for loading needed dependencies.

What is a toolchain

A possible solution to this issue is to define so-calledtoolchainmodules, packaging together a compiler, an MPIlibrary, and one or more packages providing linear algebraand FFT functionality. For example, agoolftoolchain modulemay combine (i.e., implicitly load modules for) a compatiblecombination of specific versions of GCC, Open MPI, Open-BLAS, (Sca)LAPACK and FFTW. In

Toolchains and name conventions

Toolchain is collection of software used for compiling another software. There are several toolchains available:

FOSS 2018b

GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. Current version 2018b contains:

GCCcore/7.3.0
binutils/2.30-GCCcore-7.3.0
GCC/7.3.0-2.30
numactl/2.0.11-GCCcore-7.3.0
hwloc/1.11.10-GCCcore-7.3.0
OpenMPI/3.1.1-GCC-7.3.0-2.30
OpenBLAS/0.3.1-GCC-7.3.0-2.30
FFTW/3.3.8-gompi-2018b
ScaLAPACK/2.0.2-gompi-2018b-OpenBLAS-0.3.1

FOSS 2018a

GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. Version 2018a contains:

GCCcore/6.4.0
binutils/2.28-GCCcore-6.4.0
GCC/6.4.0-2.28
numactl/2.0.11-GCCcore-6.4.0
hwloc/1.11.8-GCCcore-6.4.0
OpenMPI/2.1.2-GCC-6.4.0-2.28
OpenBLAS/0.2.20-GCC-6.4.0-2.28
FFTW/3.3.7-gompi-2018a
ScaLAPACK/2.0.2-gompi-2018a-OpenBLAS-0.2.20

FOSSCUDA 2018b (Previous GOOLFC)

GNU Compiler Collection (GCC) based compiler toolchain with CUDA support, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. Current version 2018b contains:

GCCcore/7.3.0
binutils/2.30-GCCcore-7.3.0
GCC/7.3.0-2.30
CUDA/9.2.88-GCC-7.3.0-2.30
numactl/2.0.11-GCCcore-7.3.0
hwloc/1.11.10-GCCcore-7.3.0
OpenMPI/3.1.1-gcccuda-2018b
OpenBLAS/0.3.1-GCC-7.3.0-2.30
FFTW/3.3.8-gompic-2018b
ScaLAPACK/2.0.2-gompic-2018b-OpenBLAS-0.3.1

Naming convention

Modules are named with version + toolchain + other software used. Eg: Caffe/1.0-foss-2018a-Python-3.6.4 means CafFe version 1.0, compiled with foss 2018a toolchain and with Python 3.6.4 modules. Caffe/1.0-goolfc-2017b-MATLAB-9.2 means Caffe version 1.0, compiled with goolfc 2017b (GPU support) with Matlab 9.2 mexfiles.