choderalab/yank

NetCDF: HDF error

jslim-furame opened this issue · 2 comments

When I run "yank_analyze", I got the following error message:

OSError: [Errno -101] NetCDF: HDF error: b'OUTPUT/experiments/solvent.nc'

What is the origin of this error and how can I resolve this problem?

export HDF5_USE_FILE_LOCKING=FALSE

This should automatically be retried if the file fails to open. We've implemented this in openmmtools.