edits to local run

NREL · Jan 26, 2022 · 5f8954c · 5f8954c
1 parent 9d4fcff
commit 5f8954c
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Showing 2 changed files with 5 additions and 3 deletions.
diff --git a/examples/code_ocean/config_local.yaml b/examples/code_ocean/config_local.yaml
@@ -6,7 +6,7 @@ run_id: 'local_run'
 problem_config:
   initial_state: 'C'
   # maximum number of heavy atoms
-  max_atoms: 10
+  max_atoms: 12
   # minimum number of heavy atoms
   min_atoms: 4
   # atoms to use when building the molecule
@@ -94,4 +94,4 @@ sql_database:
    # This will be overwritten by env variable DB_HOST in rlmolecule/sql/run_config.sh
    host: "localhost"
    user: "example_user"
-   passwd: "tmppassword"
+   passwd: "tmppassword"
diff --git a/examples/code_ocean/submit_local.sh b/examples/code_ocean/submit_local.sh
@@ -6,6 +6,8 @@
 #SBATCH --nodes=1
 #SBATCH --ntasks=1
 
+source ~/.bashrc
 conda activate rlmol
 
-python stable_radical_opt.py --config=config_local.yaml
+./start_postgres.sh
+python stable_radical_opt.py --config=config_local.yaml