Ab initio random structure searching (AIRSS) is a very simple, yet powerful and highly parallel, approach to structure prediction. For more information, Do take a look at https://airss-docs.github.io/
Installation Guide can be found at https://airss-docs.github.io/getting-started/installation/
Installation is quite a breeze. But there are a few additional steps if you have issues.
Step 1: Download airss package
% wget https://www.mtg.msm.cam.ac.uk/files/airss-0.9.1.tgz
Step 2: Load the GNU Compilers (Must be greater than version 5 and above)
Step 3: Compiling the application
% tar -xvf airss-0.9.1.tgz % cd airss-0.9.1 % make
If you have error such as
% wget -c --timeout=1 --tries=2 -nv https://www.mtg.msm.cam.ac.uk/files/symmol.zip Read error (Connection timed out) in headers ..... .....
You may want to download manually and placed the symmol.zip at airss-0.9.1/external/symmol. Run the make again.
% make ; make install ; make neat
% make check ..... ..... -------------------- Tests run in .check: -------------------- Running example 1.1 (Crystals): Al-44343-3411-1 -0.00 7.564 -6.654 8 Al Fm-3m 1 Al-44343-3411-2 -0.00 8.465 0.797 8 Al C2/m 1 Running example 1.2 (Clusters): Al-44735-1896-1 0.00 615.385 -3.410 13 Al Ih 1 Al-44735-1896-2 0.00 615.385 0.362 13 Al C1 1 ..... .....
