GRN/run_eval_scalar_15k.sh

#!/bin/bash
#PJM -L rscgrp=b-batch
#PJM -L gpu=1
#PJM -L elapse=04:00:00
#PJM -N eval_scalar_15k
#PJM -j
#PJM -o /home/hp250092/ku50001222/qian/aivc/lfj/GRN/result/evl/eval_scalar_15k_%j.out

module load cuda/12.2.2
module load cudnn/8.9.7
module load gcc-toolset/12

source /home/hp250092/ku50001222/qian/aivc/lfj/stack_env/bin/activate

cd /home/hp250092/ku50001222/qian/aivc/lfj/GRN/grn_scalar

export PYTORCH_CUDA_ALLOC_CONF=max_split_size_mb:256

CKPT=/home/hp250092/ku50001222/qian/aivc/lfj/GRN/result/scalar/scalar-norman-f1-topk30-negTrue-d128-ld1-lr5e-05-lw1.0-lp0.4-agg_signed_l2-dtk100-ema0.9999-ln-wu2000-rk4/iteration_15000/checkpoint.pt
OUT_DIR=/home/hp250092/ku50001222/qian/aivc/lfj/GRN/result/evl/scalar_15k

echo "=========================================="
echo "Job ID:    $PJM_JOBID"
echo "Job Name:  $PJM_JOBNAME"
echo "Start:     $(date)"
echo "Node:      $(hostname)"
echo "GPU:       $(nvidia-smi --query-gpu=name,memory.total --format=csv,noheader 2>/dev/null || echo 'N/A')"
echo "Checkpoint: $CKPT"
echo "Output:     $OUT_DIR"
echo "=========================================="

accelerate launch --num_processes=1 scripts/run_cascaded.py \
    --data-name norman \
    --d-model 128 \
    --d-hid 512 \
    --nhead 8 \
    --nlayers 4 \
    --batch-size 96 \
    --lr 5e-5 \
    --steps 200000 \
    --fusion-method differential_perceiver \
    --perturbation-function crisper \
    --noise-type Gaussian \
    --infer-top-gene 1000 \
    --n-top-genes 5000 \
    --use-mmd-loss \
    --gamma 0.5 \
    --split-method additive \
    --fold 1 \
    --latent-dim 1 \
    --agg-mode signed_l2 \
    --latent-weight 1.0 \
    --choose-latent-p 0.4 \
    --delta-topk 100 \
    --warmup-batches 200 \
    --print-every 5000 \
    --topk 30 \
    --use-negative-edge \
    --ema-decay 0.9999 \
    --t-sample-mode logit_normal \
    --warmup-steps 2000 \
    --ode-method rk4 \
    --eval-batch-size 8 \
    --sparse-cache-path /home/hp250092/ku50001222/qian/aivc/lfj/GRN/grn_ccfm/cache/norman_attn_L11_sparse.h5 \
    --checkpoint-path "$CKPT" \
    --test-only

# Copy results to evl directory
EVAL_DIR=/home/hp250092/ku50001222/qian/aivc/lfj/GRN/result/scalar/scalar-norman-f1-topk30-negTrue-d128-ld1-lr5e-05-lw1.0-lp0.4-agg_signed_l2-dtk100-ema0.9999-ln-wu2000-rk4/eval_only
mkdir -p "$OUT_DIR"
if [ -f "${EVAL_DIR}/agg_results.csv" ]; then
    cp "${EVAL_DIR}/agg_results.csv" "$OUT_DIR/"
    cp "${EVAL_DIR}/results.csv"     "$OUT_DIR/" 2>/dev/null
    cp "${EVAL_DIR}/pred.h5ad"       "$OUT_DIR/" 2>/dev/null
    cp "${EVAL_DIR}/real.h5ad"       "$OUT_DIR/" 2>/dev/null
    echo "[DONE] Results copied to $OUT_DIR"
    ls -lh "$OUT_DIR"
else
    echo "[WARN] No agg_results.csv produced in $EVAL_DIR"
fi

echo "=========================================="
echo "Finished:  $(date)"
echo "=========================================="