[gmx-developers] plans for GROMACS 2017 release cycle

Berk Hess hess at kth.se
Fri Sep 8 11:28:42 CEST 2017

But you should be able to get some (limited) information by attaching a 
debugger to an aldready running process with a release build.

If you plan on compiling and running a new case, use a release + debug 
symbols build. That should run as fast as a release build.



On 2017-09-08 11:23, Åke Sandgren wrote:
> We have, at least, one case that when run over 2 nodes, or more, quite
> often (always) hangs, i.e. no more output in md.log or otherwise while
> mdrun still consumes cpu time. It takes a random time before it happens,
> like 1-3 days.
> The case can be shared if someone else wants to investigate. I'm
> planning to run it in the debugger to be able to break and look at
> states when it happens, but since it takes so long with the production
> build it is not something i'm looking forward to.
> On 09/08/2017 11:13 AM, Berk Hess wrote:
>> Hi,
>> We are far behind schedule for the 2017 release. We are working hard on
>> it, but I don't think we can promise a date yet.
>> We have a 2016.4 release planned for this week (might slip to next
>> week). But if you can give us enough details to track down your hanging
>> issue, we might be able to fix it in 2016.4.

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