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mittinatten / freesasa

C-library for calculating Solvent Accessible Surface Areas
http://freesasa.github.io/
MIT License
103 stars 37 forks source link

Windows access violation #95

Closed pegerto closed 8 months ago

pegerto commented 8 months ago

Hello,

I building a small kit for MDAnalisys and found some issues running the service in windows.

I am using a python implementation but it works correctly in both windows and mac. 

 result = freesasa.calc(structure)

The output:

Windows fatal exception: access violation

Thread 0x000016[28](https://github.com/pegerto/mdakit_sasa/actions/runs/6444612837/job/17497801486#step:8:29) (most recent call first):
  File "C:\Miniconda\envs\mdakit_sasa-test\Lib\threading.py", line 331 in wait

Raise a window violation exception in almost all windows services tested by window latest., unfortunatly I do not have a window machine to dig deeper on this issue. Is there any CI process verifying the implemetation on windows.

mittinatten commented 8 months ago

I don't have access to a Windows environment either, so I have no idea what the problem means. I guess there could be problems with the way FreeSASA sets up multithreading (using the pthreads library). You might be able to circumvent this by passing parameters with n-threads = 1 to freesasa.calc

pegerto commented 8 months ago

hi @mittinatten

Thanks you very much for your guidances, I have implemented your suggestions and I am using n-threads = 1 in windows and the github CI actions is not longer throwing an exception.

Regards.