Compiling airss-0.9.1 with GNU


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
.....
.....

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