NWChem - computational chemistry on parallel computers NWChem Home | Security & Privacy | PNNL

NWChem Known Bugs

It is recommended that users use the defaults in NWChem. They have been set to provide maximum efficiency for most users. If you feel you must change one of the defaults, be aware that you are responsible for ensuring that the results are correct.

It is also recommended that users obtain the latest version of NWChem as many of the problems in previously released versions have been fixed in the latest release.

Below is a list of the known bugs in NWChem. If you believe that you have found bugs that are not listed here, please send your bug report using the correct channel listed in the Reporting Problems with NWChem page.

  1. Version 4.7
  2. Version 4.6
  3. Version 4.5
  4. Version 4.5 beta
  5. Version 4.1
  6. Version 4.0 and 4.0.1
  7. Version 3.3 and 3.3.1
  8. Version 3.2

If you believe that you have bugs related to GA, please look at the Global Arrays Support Page for more information.


NWChem | Capabilities | Platforms | Download | User's Manual | Programmer's Manual | Release Notes | FAQ

Known Bugs | Support | Tutorial | Contributors | Benchmarks | Search | Mol Sci. Soft. Group | Citation

Contact: NWChem Support
Updated: February 22, 2005