salilab / imp

The Integrative Modeling Platform
https://integrativemodeling.org
GNU General Public License v3.0
73 stars 30 forks source link

bug in CloseBipartitePairContainer #496

Closed barakr closed 11 years ago

barakr commented 11 years ago

in npctransport but seems general - When running (with checks on) medium_test_sites_from_simulation_data.py, then once every 4-5 runs, I get an error:

InternalException: Internal check failure: Pair "2" and "5" not found in list with coordinates (25, 25, 25: 25) and (44.2644, -25.9387, 26.439: 25) list is [] File "/piri1/home/barak/imp_git/repository/modules/core/src/internal/CoreCloseBipartitePairContainer.cpp", line 130 Context: BD0::optimize/do_simulate/BipartitePairsStatisticsOptimizerState0::update/BipartitePairsStatisticsOptimizerState0::update_always/CoreCloseBipartitePairContainer::before_evaluate/CoreCloseBipartitePairContainer::do_before_evaluate

drussel commented 11 years ago

Related issues pop up occasionally. But all the errors have tended to be things that pop up every once in a while in long tests and so haven't yielded much info for tracking it down.

barakr commented 11 years ago

well, this one pops out every 1:4 runs of 3 seconds in debug mode :)

On Thu, Aug 29, 2013 at 10:52 AM, drussel notifications@github.com wrote:

Related issues pop up occasionally. But all the errors have tended to be things that pop up every once in a while in long tests and so haven't yielded much info for tracking it down.

— Reply to this email directly or view it on GitHubhttps://github.com/salilab/imp/issues/496#issuecomment-23508922 .

Barak

drussel commented 11 years ago

I think that is better than we have had so far :-)

On Thu, Aug 29, 2013 at 10:59 AM, barakr notifications@github.com wrote:

well, this one pops out every 1:4 runs of 3 seconds in debug mode :)

On Thu, Aug 29, 2013 at 10:52 AM, drussel notifications@github.com wrote:

Related issues pop up occasionally. But all the errors have tended to be things that pop up every once in a while in long tests and so haven't yielded much info for tracking it down.

— Reply to this email directly or view it on GitHub< https://github.com/salilab/imp/issues/496#issuecomment-23508922> .

Barak

— Reply to this email directly or view it on GitHubhttps://github.com/salilab/imp/issues/496#issuecomment-23509556 .

drussel commented 11 years ago

Not a general issue. The container doesn't currently handle the radii changing, as they do during initialization. Probably worth adding for robustness.

barakr commented 11 years ago

ah ok! easy to see why it is a complicated issue to handle. Still, inflating radii is a common technique in molecular modeling, so might run into it in future again. I will document it that fixed particles radii is assumed, for now.

On Fri, Aug 30, 2013 at 1:16 PM, drussel notifications@github.com wrote:

Not a general issue. The container doesn't currently handle the radii changing, as they do during initialization. Probably worth adding for robustness.

— Reply to this email directly or view it on GitHubhttps://github.com/salilab/imp/issues/496#issuecomment-23586664 .

Barak

drussel commented 11 years ago

It is actually quite easy to handle, just wasn't considered when being implemented. A lot of things don't really handle it, I suspect.

On Fri, Aug 30, 2013 at 1:27 PM, barakr notifications@github.com wrote:

ah ok! easy to see why it is a complicated issue to handle. Still, inflating radii is a common technique in molecular modeling, so might run into it in future again. I will document it that fixed particles radii is assumed, for now.

On Fri, Aug 30, 2013 at 1:16 PM, drussel notifications@github.com wrote:

Not a general issue. The container doesn't currently handle the radii changing, as they do during initialization. Probably worth adding for robustness.

— Reply to this email directly or view it on GitHub< https://github.com/salilab/imp/issues/496#issuecomment-23586664> .

Barak

— Reply to this email directly or view it on GitHubhttps://github.com/salilab/imp/issues/496#issuecomment-23587195 .

drussel commented 11 years ago

I don't seem to be able to get it to fail any more.