Reporting Bugs in NAMD
Problem with NAMD?
- Download and test NAMD 2.12, the most recent version.
- Direct questions regarding the tutorials to the Tutorial-L mailing list; check the archive first.
- Please check
and the rest of the NAMD web site resources.
For problems compiling or running NAMD
please review the release notes and
Installation and Usage Manual,
check the NamdOn... pages at NamdWiki,
and later summarize the resolution of
your problem there that others may benefit from your experience.
If you do not understand the errors
generated by your compiler, queueing system, ssh, or mpiexec you should
seek assistance from a local expert familiar with your setup.
If you are not familiar with molecular dynamics simulations
you should work through the tutorials
and seek assistance from a local expert.
To Ask Questions The Smart Way,
not pester Eric S. Raymond and Rick Moen
(the authors of that page) with questions about NAMD or anything else.
For questions about using NAMD please
subscribe to NAMD-L and post your question there
so that others may benefit from the discussion.
Please avoid sending attachments
to NAMD-L by posting any related
files on your web site or on BioCoRE (in
BioFS for the NAMD public project) and including the location in your
NAMD-L will not distribute messages larger than 40K.
If you can't find space for it on a webserver, we don't have space for
it in our inboxes.
Attached files expand in size when encoded as text by your mail client.
- Gather, in a single directory, all input and config files needed to reproduce your problem.
- Run once, redirecting output to a file (if the problem occurs randomly
do a short run and include additional log files showing the error).
- Tar everything up (but not the namd2 or charmrun binaries) and
compress it, e.g., "tar cf mydir.tar mydir; gzip mydir.tar". Please
do not attach files individually to your email message
as this is error prone and tedious to extract. The only exception
should be the log of your run showing any error messages.
- For bug reports, mail firstname.lastname@example.org with:
- A synopsis of the problem as the subject (not "need help", "URGENT", "NAMD", or "need urgent NAMD help!!!").
- The NAMD version, platform and number of CPUs the problem occurs with (to be very complete just copy the first 20 lines of output).
- A description of the problematic behavior and any error messages.
- If the problem is consistent or random.
- A complete log of your run showing any error messages.
- The URL of your compressed tar file on a web server.
- We'll get back to you with further questions or suggestions. While we try to treat all of our users equally and respond to emails in a timely manner, other demands occasionally prevent us from doing so. Please understand that we must give our highest priority to crashes or incorrect results from the most recently released NAMD binaries.