File tree Expand file tree Collapse file tree
Expand file tree Collapse file tree Original file line number Diff line number Diff line change 5858# That being said, an example cluster configuration can be adopted to your needs.
5959#
6060# Note on Elwe: Worker nodes of Elwe are unable to reach the controller when MolDrug is running directly on the frontend.
61- # One way to circumvent it is to run tests from an interactive node , eg. by calling `elwe slot`, `pytest tests -k test_multi_receptor`.
61+ # One way to circumvent it is to run tests from an interactive job , eg. by calling `elwe slot`, `pytest tests -k test_multi_receptor`.
6262# Sending the main job to the queue works as well
6363# sbatch --partition uds-hub --nodes 1 --mem-per-cpu 1GB --time 00:15:00 --ntasks-per-node 10 --gres gpu:1 --constraint 'XEON_E5_2630v4' \
6464# --wrap 'bash -c "source .venv/bin/activate ; pytest tests -k test_multi_receptor"'
@@ -118,6 +118,7 @@ def test_single_receptor_command_line():
118118 elif execution_mode in ["smaug" , "elwe" ]:
119119 assert dask_available
120120
121+ # This is currently unused
121122 if execution_mode == "smaug" :
122123 Config ['01_grow' ]['cluster' ] = {
123124 "SLURMCluster_kwargs" : {
You can’t perform that action at this time.
0 commit comments