Reporting Bugs in NAMD
Problem with NAMD?
- Download and test NAMD 2.6, the most recent version.
- Direct questions regarding the tutorials to the Tutorial-L mailing list; check the archive first.
- Please check NamdWiki
(particularly
NamdTroubleshooting
and
NamdKnownBugs
),
NAMD-L archive,
release notes,
user's guide,
tutorials,
and the rest of the NAMD web site resources.
- 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 your files individually to your email message
as this is error prone and tedious to extract. The only exception
may be the log of your run showing any error messages.
-
For problems concerning compiling or using NAMD please consider subscribing
to NAMD-L and posting your question there, and
summarizing the resolution of your problem on NamdWiki
so that others may benefit from your experience.
Please avoid sending large 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
message.
- For bug reports, mail namd@ks.uiuc.edu with:
- A synopsis of the problem as the subject (not "HELP" or "URGENT").
- 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.
- The compressed tar file as an attachment (or a URL if it is too big).
- 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.
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