Install Dependencies
SpecFWAT requires following dependencies to compile and run.
Required Dependencies
- CMake >= 3.16
- C++/Fortran compiler (gfortran >= 9.0, ifort >= 18.0)
- MPI library (OpenMPI >= 4.0, IntelMPI >= 2018)
- HDF5 library (>= 1.10)
Optional Dependencies
- CUDA >= 11.0 (for GPU acceleration)
For local machine
To install the dependencies for SpecFWAT on local machine, we recommend using the Conda /Mamba package manager.
Create a new conda environment
conda create -n fwat
conda activate fwatInstall dependencies
conda install -c conda-forge fortran-compiler c-compiler cmake openmpi hdf5 lapack blasFor High Performance Computing (HPC) system
To install the dependencies for SpecFWAT on supercomputers, we recommend to load the required modules using the module system. Below show some examples of loading required modules on different HPC systems.
N40@BSCC
N40@BSCC is a GPU-accelerated HPC system with Nvidia GForce RTX 4090 GPUs. The following modules are required to run SpecFWAT:
module load openmpi/4.1.5_gcc11.2_ucx1.14.1_cuda11.8 cmake/3.30.0 cuda/11.8 hdf5/1.13.3Last updated on