Singularity & slurm

Check version before downloading singularity deb

lsb_release -a # check ubuntu version

wget https://github.com/sylabs/singularity/releases/download/v4.2.1/singularity-ce_4.2.1-focal_amd64.deb

sudo dpkg –install singularity-ce_4.2.1-focal_amd64.deb sudo apt-get install -f

CUDA_VISIBLE_DEVICES=3 singularity exec –nv alphafold3.sif
python -u alphafold3/run_alphafold.py
–input_dir=af_input_ECD_Immunoglobulin/folder_3
–output_dir=af_output_ECD_Immunoglobulin
–model_dir=af_models
–jax_compilation_cache_dir=af_cache/cache
–norun_data_pipeline | tee run.log

CUDA_VISIBLE_DEVICES=3 singularity exec –nv alphafold3.sif
python -u alphafold3/run_alphafold.py
–json_path=af_input_ECD_Immunoglobulin/folder_3/IL6ST_NCR1.json
–output_dir=af_output_ECD_Immunoglobulin
–model_dir=af_models
–jax_compilation_cache_dir=af_cache/cache
–norun_data_pipeline | tee run.log