search

radical-collaboration / extasy-grlsd

Repository to hold the input data and scripts for the ExTASY gromacs-lsdmap work
1 stars 1 forks source link

kmeans error #72

Closed euhruska closed 6 years ago

euhruska commented 6 years ago 
^Minitialize kmeans++ centers:   0% 0/300 [00:00<?, ?it/s]
^Mkmeans iterations:   0% 0/10 [00:00<?, ?it/s]^[[A^Minitialize kmeans++ centers:   0% 1/300 [00:17<1:26:13, 17.30s/it]python2.7: pyemma/coordinates/clustering/include/bits/metric_base_bits.h:104: dtype euclidean_metric<dtype>::compute(const dtype*, const dtype*) [with dtype = float]: Assertion `std::isfinite(sum)' failed.
euhruska commented 6 years ago

fixed by rerunning last trajectories

euhruska commented 6 years ago

correction: not fixed