“Your account has been locked due to too many failed login attempts”

This feature is provided by django-axes. You can reset account lockouts using the command docker-compose exec web python axes_reset while CalcUS is running. Alternatively, you can reset individual lockouts by ip (docker-compose exec web python axes_reset_ip <ip>) or by username (docker-compose exec web python axes_reset_username <username>).

By default, 5 login attempts are tolerated before locking the account. The lockout will be cleared after one hour. These values can be changed in calcus/ by modifying AXES_FAILURE_LIMIT and AXES_COOLOFF_TIME. View Django-axes’ documentation for more details.

Unable to connect/This site can’t be reached

If you are running CalcUS on your own computer, make sure to use the address and not as the Django logs say. While the Django server does listen on port 8000, it is not directly accessible; you must connect to Nginx on port 8080 in order to use CalcUS.

“Your connection to this site is not secure”

This message may appear in your browser when accessing CalcUS. This is due to the fact that CalcUS does not use SSL or TLS encryption by default. In order to do so, an encryption certificate must be generated by a certificate authority. This must be done for each “server”, meaning each instance of CalcUS. If you desire to have encryption on your instance of CalcUS, you must thus perform this process yourself. Also know that it is not trivial to add encryption to websites which are not public (i.e. websites on intranets or private networks). We however do not recommend exposing a CalcUS instance to the whole internet.

Gaussian 16 calculations crash without any error message

If you notice that Gaussian 16 calculations crash right after the structure printout in the log file, you might need to add PGI_FASTMATH_CPU=sandybridge in your .env file.