diff --git a/bin/omegafold_across_gpus.py b/bin/omegafold_across_gpus.py index fc68c3d..21d227e 100644 --- a/bin/omegafold_across_gpus.py +++ b/bin/omegafold_across_gpus.py @@ -48,8 +48,13 @@ def run_omegafold(input_fasta: str, outdir: str, gpu: int) -> str: """ logging.info(f"Running omegafold on {input_fasta} > {outdir} with gpu {gpu}") assert shutil.which("omegafold") - cmd = f"omegafold {input_fasta} {outdir} --device cuda:{gpu}" - output = subprocess.call(cmd, shell=True) + cmd = f"CUDA_VISIBLE_DEVICES={gpu} omegafold {input_fasta} {outdir} --device cuda:0" + + bname = os.path.splitext(os.path.basename(input_fasta))[0] + with open( + os.path.join(outdir, f"omegafold_{bname}_gpu_{gpu}.stdout"), "wb" + ) as sink: + output = subprocess.call(cmd, shell=True, stdout=sink) def build_parser() -> argparse.ArgumentParser: