Requirements

The opacity calculation from HELIOS-K is running on GPUs and require a Nvidia GPUi with compute capability of 3.0 or higher. It can run on Nvidia Tesla, GeForce and Quadro GPUs.
The code needs the CUDA toolkit to be installed. This can be downloaded from https://developer.nvidia.com/cuda-downloads.
Helper code for downloading the files and preprocessing are written in C++ and Python3. They require the following libraries:

  • exomol.py and exomol2.py

    • bs4

    • requests

    • sys

    • os

    • subprocess

    • numpy

    • argparse

    • math

  • Kurucz2.py

    • numpy

    • math

    • struct

    • os

    • argparse

  • nist_ELevels2.py and nist_Lines3.py

    • sys

    • argparse

    • csv

    • requests

  • nist_partition.py

    • numpy

    • sys

    • argparse

  • nist_Lines2.py

    • numpy

    • struct

    • math

    • csv

    • pandas

    • argparse

    • re

  • vald_request.py

    • selenium

    • argparse

  • vald_download.py

    • numpy

    • math

    • struct

    • os

    • argparse

  • vald.py

    • numpy

    • math

    • struct

    • os

    • argparse

Note, when using a computing cluster, all these libraries can be installed locally in the home directory with:

pip3 install --user <package name>

Compilation

HELIOS-K can be compiled with the provided Makefile by typing

make SM=xx

into the terminal, where xx corresponds to the compute capability of the installed GPU. For example use make SM=20 for compute capability 2.0, or make SM=35 for 3.5. A table with all compute capabilities can be found here. On a computing cluster, eventually the CUDA module must be loaded before compiling the code.

On Windows machines

If using Cygwin on Windows, then HELIOS-K can be compiled the same way with make SM=xx. If using the Windows Command Prompt, type nmake -f MakefileW SM=xx. Note, that the Windows C++ compiler cl must be installed, and the compiler path must be loaded in the shell. If this is not the case, it can be loaded similar to this command: call "C:\Program Files (x86)\Microsoft Visual Studio 14.0\Common7\Tools\vsvars32.bat" , where the exact path and file name must eventually be changed.