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Actually, even non-DD runs do leak memory, so there is something strange going on here. Disabling timing seems to strongly reduce or eliminate the effect; there is still a strange drift in memory usage, but it seems to plateau after a while. Need longer runs to assess it.

Gerrit received a related DRAFT patchset '2' for Issue #2470.
Uploader: Aleksei Iupinov (a.yupinov@gmail.com)
Change-Id: gromacs~release-2018~I4917de697bee7df98da0037e9165e52e660f83a0
Gerrit URL: https://gerrit.gromacs.org/7730

Aleksei Iupinov wrote:

So I did a 1 rank/16 threads run of NB OpenCL, 96k water box on dev-haswell-gpu01 (with AMD GPU PRO drivers) for 4 hours - with versions before introduction of GpuRegionTimer, and after the fix for the release event (above). I looked at the system free memory, using the corresponding 4th column of the "free" output every second. Curves look the same, their difference is almost flat. By their incline, the system free memory decreases by about 26 MB/hour. Overall, I assume my fix restored the status quo, at least :-)

Fair enough, my question is however, whether there is still a memory leak? :)

The trouble with the 4th column of free is that is the true "free" memory, not including disc cache, etc. For that reason, as mdrun does write at least to the log, checkpoint, and possibly energy output, that is not a good metric.

I suggest looking at the "used" column of free and/or the resident memory usage of the gmx process.