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Installing the toolkit

Requirements

Static codes (st-wslda)

C compiler (eg. gcc, intel compiler icc, ...)
MPI C compiler (eg. mpicc, intel compiler mpiicc, ...)
FFTW library
LAPACK library
ScaLAPACK library
ELPA library (optionally)
CUDA compiler (optionally, for ELPA)

Note 1: compilers and libraries (FFTW, LAPACK, ScaLAPACK) are installed by default on most of computing clusters. If computing system is equipped with GPUs most likely CUDA Toolkit is also installed. On many systems ELPA is also installed by default. If not you can compile it yourself.

Note 2: It is recommend to use st-wslda with ELPA support if possible. It provides substantial speed-up of computation process.

Time-dependent codes (td-wslda)

C compiler (eg. gcc, intel compiler icc, ...)
MPI C compiler (eg. mpicc, intel compiler mpiicc, ...)
CUDA compiler

Note 1: Time dependent codes require systems accelerated by GPUs. td-wslda codes cannot run on standard systems based on CPUs only.

Downloading the toolkit

It is recommended to download the toolkit directly from repository using git

git clone https://gitlab.fizyka.pw.edu.pl/gabrielw/wslda.git

Optionally you can download it manually from main webpage.
The toolkit is contained in wslda folder, see here for more info about content.

Configuring template folders

In folders todo