@khinsen recently forwarded this article on twitter.
Huge bug uncovered in computational chemistry software because different operating systems sort files differently and the published scripts don’t handle it well.
Enjoy: 
https://pubs.acs.org/doi/10.1021/acs.orglett.9b03216
Along the same line, I’m sharing this older story (A Scientist’s Nightmare: Software Problem Leads to Five Retractions, [PDF version]):
When he investigated, Chang was horrified to discover that a homemade data-analysis program had flipped two columns of data, inverting the electron-density map from which his team had derived the final protein structure.