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NWChem/.github/ISSUE_TEMPLATE/bug_report.md
NWChem: Open Source High-Performance Computational Chemistry e7fdcfbef1 Update issue templates
2020-05-13 11:59:15 -07:00

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Bug report Create a report to help us improve NWChem

Describe the bug A clear and concise description of what the bug is.

Describe settings used Report all the environment variables used. Report what operating system and distribution you are using.

Attach log files Attach as many log files as possible.

  • stdout/stderr of the NWChem execution
  • complete makefile log
  • $NWCHEM_TOP/src/tools/build/config.log
  • $NWCHEM_TOP/src/tools/build/comex/config.log
  • debugging stack

To Reproduce

  1. Steps to reproduce the behavior:
  2. Attach all the input files required to run.

Expected behavior A clear and concise description of what you expected to happen.

Screenshots If applicable, add screenshots to help explain your problem.

Additional context Add any other context about the problem here.