Don't use DDP w/o launcher

globus-labs · Apr 10, 2024 · 0668683 · 0668683
1 parent a6648de
commit 0668683
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/mofa/difflinker_train.py b/mofa/difflinker_train.py
@@ -208,7 +208,6 @@ def main(
                 devices=devices,
                 num_sanity_val_steps=0,
                 enable_progress_bar=args.enable_progress_bar,
-                strategy='ddp'
             )
 
             # Add a callback for fit setup

diff --git a/run-polaris-test.sh b/run-polaris-test.sh
@@ -32,14 +32,15 @@ python run_parallel_workflow.py \
       --generator-path models/geom-300k/geom_difflinker_epoch=997_new.ckpt \
       --generator-config-path models/geom-300k/config-tf32-a100.yaml \
       --maximum-train-size 8192 \
-      --maximum-strain 0.25 \
+      --maximum-strain 0.5 \
       --retrain-freq 16 \
       --num-epochs 128 \
       --num-samples 1024 \
       --gen-batch-size 128 \
       --simulation-budget 32768 \
       --md-timesteps 1000000 \
       --md-snapshots 10 \
+      --raspa-timesteps 10000 \
       --lammps-on-ramdisk \
       --dft-fraction 0.25 \
       --ai-fraction 0.4 \