Compilers / Interpreters

Intel Compiler
The Intel compiler suite includes C, C++ and Fortran as well as the Intel Math Kernel Library (MKL)

Modules

module avail intel
- or -
module load intel/compilers

Usage

  • C, C++: icc/icpc [options] file1 [file2] ...
  • Fortran: ifort [options] file1 [file2] ...

Safe Optimization flags

-march=core-avx-i

GNU Compiler

Modules

(the default version does not require loading any modules -- the following applies to versions 4.8.2 and 5.3.0 only)
module avail gnu
- or -
module load gcc/4.8.5
- or -
module load gcc/5.3.0

Usage

  • C, C++: gcc/c++ [ options ] file1 [ file2 ]..
  • Fortran: gfortran [ options ] file1 [ file2 ]...

Safe Optimization flags

-march=core-avx-i (for versions 4.8.2 and 5.3.0 for the Intel E5-26xx v2 CPU)
- or -
-march=native (let the compiler decide - for version 4.4.7)

NVIDIA CUDA compiler

Modules

module avail cuda
- or -
module load cuda/7.0

Usage

  • C, C++: nvcc [ options ] file1 [ file2 ]..

Safe Optimization flags

-arch=sm_30
- or-
-arch=sm_32
You may also check the -Xptxas and -dlcm=ca flags

Python

Modules

module avail python
- or -
module avail miniconda
- or -
module load python/3.9.13-gcc
- or -
module load python/3.10.5-gcc
- or -
module load python/miniconda3

(Python 2.7.18 is the default, "bundled" version. It does not any module to be loaded)

Conda/Miniconda
Unless you can use directly one of the modules installed, one should utilize the miniconda3 module in order to use Python in a new virtual environment. This is how it's done:

module avail miniconda

module load miniconda3/4.13.0
conda env list

conda create -n my_test_env python=3.9 (you can choose the python version you prefer here)

conda env list
# conda environments:
#
my_test_env/home/user/.conda/envs/my_test_env

DO NOT USE conda activate, to activate the new virtual env, it will NOT work.
You should use:

source activate my_test_env

and then to install software use

conda, pip --user to install or compile your software

In your batch file you will need:

module load miniconda3/4.13.0
source activate my_test_env

Usage

  • python [ options ] file1 [ file2 ]..

Safe Optimization flags

N/A