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k-ujihara / NCDK

The Chemistry Development Kit ported to .NET
https://kazuyaujihara.github.io/NCDK/
GNU Lesser General Public License v2.1
35 stars 11 forks source link

Estate not closing files? #8

Closed ghost closed 6 years ago

ghost commented 6 years ago

We are getting errors running between 80-100 molecules through the fingerprint calculation. The error is a system error "Unhandled exception. System.IO.IO.Exception: too many files open".

We can run Lingo and the substructure based fingerprint without seeing the problem so it seems to be specific to Estate. We are running with NCDK on .Net Core and Centos 7. Has anyone else seen this or similar? Any suggestions for us to investigate further would be welcome.

k-ujihara commented 6 years ago

Please let me know the code to make exception.

ghost commented 6 years ago

The error does not reproduce outside our framework. Will close.