Differenze

Queste sono le differenze tra la revisione selezionata e la versione attuale della pagina.

--- calcoloscientifico:userguide:alphafold [06/02/2025 19:07] – [Table] fabio.spataro
+++ calcoloscientifico:userguide:alphafold [06/02/2025 19:46] (versione attuale) – fabio.spataro
@@ Linea 20: / Linea 20: @@
 mkdir -p demo/af_input
 cp -p /hpc/share/containers/apptainer/alphafold/3/af_input/fold_input.json demo/af_input
-cp -p /hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu-a100_80g.sh demo
+cp -p /hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu-a100_40g.sh demo
 cd demo
-sbatch slurm-alphafold-gpu-a100_80g.sh
+sbatch slurm-alphafold-gpu-a100_40g.sh
 </code>
@@ Linea 46: / Linea 46: @@
 </code>
-Script ''slurm-alphafold-gpu-a100_80g.sh'' to run ''alphafold'' on 1 node with 1 A100 (80 GB) GPU (8 tasks per node):
+Script ''slurm-alphafold-gpu-a100_40g.sh'' to run ''alphafold'' on 1 node with 1 A100 (40 GB) GPU (8 tasks per node):
-<code bash slurm-alphafold-gpu-a100_80g.sh>
+<code bash slurm-alphafold-gpu-a100_40g.sh>
 #!/bin/bash --login
 #SBATCH --job-name=alphafold
@@ Linea 60: / Linea 60: @@
 #SBATCH --partition=gpu
 #SBATCH --qos=gpu
-#SBATCH --gres=gpu:a100_80g:1
+#SBATCH --gres=gpu:a100_40g:1
 ##SBATCH --account=<account>
@@ Linea 95: / Linea 95: @@
 The processing result will be saved in the ''af output'' folder.
-GPU specific scripts to run ''alphafold'' on 1 node with 1 GPU (8 tasks per node):
+Scripts for specific NVIDIA GPU models to run ''alphafold'' on 1 node with 1 GPU (8 tasks per node):
-^ GPU                                                                                                                    ^ Path                                                                                     ^
+^ GPU  ^ Path  ^
-| NVIDIA [[https://github.com/google-deepmind/alphafold3/blob/main/docs/performance.md#nvidia-p100|P100]] (12 GB)        | /hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu-p100.sh              |
+| NVIDIA [[https://github.com/google-deepmind/alphafold3/blob/main/docs/performance.md#nvidia-p100|P100 (12 GB)]]  | ''/hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu-p100.sh''  |
-| NVIDIA [[https://github.com/google-deepmind/alphafold3/blob/main/docs/performance.md#nvidia-v100|V100]] (32 GB)        | /hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu_guest-v100_hylab.sh  |
+| NVIDIA [[https://github.com/google-deepmind/alphafold3/blob/main/docs/performance.md#nvidia-v100|V100 (32 GB)]]  | ''/hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu_guest-v100_hylab.sh''  |
-| NVIDIA [[https://github.com/google-deepmind/alphafold3/blob/main/docs/performance.md#nvidia-a100-40-gb|A100]] (40 GB)  | /hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu-a100_40g.sh          |
+| NVIDIA [[https://github.com/google-deepmind/alphafold3/blob/main/docs/performance.md#nvidia-a100-40-gb|A100 (40 GB)]]  | ''/hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu-a100_40g.sh''  |
-| NVIDIA A100 (80 GB)                                                                                                    | /hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu-a100_80g.sh          |
+| NVIDIA [[https://github.com/google-deepmind/alphafold3/blob/main/docs/performance.md#accelerator-hardware-requirements|A100 (80 GB)]]  | ''/hpc/share/containers/apptainer/alphafold/3.0.1/slurm-alphafold-gpu-a100_80g.sh''  |
 === Documentation ===