Error when running

[LucasCRK]

Hello, I'm running rpxdock with the asymmetric mode, I have a list of pdbs in input1 and one pdb in input2. The docking starts, is successful for some pdbs and at some point the it fails with the following trace:

  File "/home/labs/fleishman/lucask/.conda/envs/rpxdock/lib/python3.9/concurrent/futures/process.py", line 246, in _process_worker
    r = call_item.fn(*call_item.args, **call_item.kwargs)
  File "/home/labs/fleishman/lucask/.conda/envs/rpxdock/lib/python3.9/site-packages/rpxdock-0.1.0-py3.9.egg/rpxdock/search/asym.py", line 38, in make_asym
    xforms, scores, extra, stats = search(sampler, evaluator, **kw)
  File "/home/labs/fleishman/lucask/.conda/envs/rpxdock/lib/python3.9/site-packages/rpxdock-0.1.0-py3.9.egg/rpxdock/search/hierarchical.py", line 27, in hier_search
    scores, extra, t = rp.search.evaluate_positions(**kw.sub(vars()))
  File "/home/labs/fleishman/lucask/.conda/envs/rpxdock/lib/python3.9/site-packages/rpxdock-0.1.0-py3.9.egg/rpxdock/search/basic.py", line 24, in evaluate_positions
    scores, extra = evaluator(xforms, **kw)
  File "/home/labs/fleishman/lucask/.conda/envs/rpxdock/lib/python3.9/site-packages/rpxdock-0.1.0-py3.9.egg/rpxdock/search/asym.py", line 87, in __call__
    ok = body1.clash_ok(body2, xforms, xeye, **kw)
  File "/home/labs/fleishman/lucask/.conda/envs/rpxdock/lib/python3.9/site-packages/rpxdock-0.1.0-py3.9.egg/rpxdock/body/body.py", line 364, in clash_ok
    return np.logical_not(self.intersect(*args, **kw))
  File "/home/labs/fleishman/lucask/.conda/envs/rpxdock/lib/python3.9/site-packages/rpxdock-0.1.0-py3.9.egg/rpxdock/body/body.py", line 361, in intersect
    return rp.bvh.bvh_isect_vec(self.bvh_bb, other.bvh_bb, xself, xother, mindis)
RuntimeError: bad strides, strides not supported

Do you know what is causing this ?

Thank you

[yhsia]

If I understand correctly, some pairs are fine?

Is it plausible to run the *.pdb pairs not in list mode to isolate specific pairs that fail?