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Acellera / htmd

HTMD: Programming Environment for Molecular Discovery
https://software.acellera.com/docs/latest/htmd/index.html
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job queued #1002

Closed zainbsa closed 3 years ago

zainbsa commented 3 years ago

Hello, I am new at using the HTMD for simulations, I submitted an adaptive sampling simulation using HTMD, however my job has been on queue for the past 3days now and not running, although it was running initially. Please kindly advice.

stefdoerr commented 3 years ago

This sounds like an issue with your cluster. What queueing system are you using?

zainbsa commented 3 years ago

Hello,

I am using gpu

stefdoerr commented 3 years ago

Can you share the python code which submitted the job?

zainbsa commented 3 years ago

qsub $run_script >> _restarted

stefdoerr commented 3 years ago

Sorry, I would need to see the code you are executing. In any case qsub I think is an SGE command. I assume you need to talk with the admin on why your jobs are staying queued.