nnfdir parameter for pyNeuroChem.molecule doesn't work without training slash

isayev / ASE_ANI

ANI-1 neural net potential with python interface (ASE)

MIT License

220 stars 56 forks source link

nnfdir parameter for pyNeuroChem.molecule doesn't work without training slash #6

Open zubatyuk opened 7 years ago

zubatyuk commented 7 years ago

without training slash:

ERROR: ANNP throw detected! Attempting to shut down nicely!

FPN Error -- "Network not found for ANNP_LOAD_HDNN_AND_TEST!"
 in location -- /home/jujuman/Gits/NeuroChem/src-atomicnnplib/cunetwork/neuralnetbase.cu:98
 in function -- cuNeuralNetworkbase()

isayev commented 7 years ago

This is most likely issue with some PATH and libs, I had similar problems... Is it on storm? CC @Jussmith01