Differenze

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

--- calcoloscientifico:userguide:boltz2 [17/12/2025 18:11] – federico.prost
+++ calcoloscientifico:userguide:boltz2 [17/12/2025 21:02] (versione attuale) – fabio.spataro
@@ Linea 1: / Linea 1: @@
 ===== Boltz2 =====
-[[https://build.nvidia.com/mit/boltz2|Boltz2]]
+  * [[https://build.nvidia.com/mit/boltz2|Boltz2]]
-[[https://boltz.bio/boltz2|Boltz2]]
+  * [[https://boltz.bio/boltz2|Introducing Boltz-2]]
 === Boltz2 Apptainer File Image ===
@@ Linea 13: / Linea 13: @@
 === Boltz2 python script ===
-Download the Boltz2 scipt file ''boltz2.py'' and save i:
-<code>
+Download the ''Boltz2'' script file ''boltz2.py'' and save it:
+<code python boltz2.py>
 import requests
 import json
@@ Linea 90: / Linea 92: @@
 Script ''slurm-boltz2-gpu-a100_40g.sh'' to run ''boltz2'' on 1 node with 1 A100 (40 GB) GPU (8 tasks per node):
-<code bash slurm-alphafold-gpu-a100_40g.sh>
+<code bash slurm-boltz2-gpu-a100_40g.sh>
 #!/bin/bash --login
 #SBATCH --job-name=boltz2
@@ Linea 113: / Linea 115: @@
 export NGC_API_KEY="INSERT API KEY HERE"
+export NIM_HTTP_API_PORT=$(hpc-find-free-tcp4-port 2>/dev/null || echo 8000)
 export TMPDIR=$HOME/nim-cache
 export APPTAINERENV_NGC_API_KEY=$NGC_API_KEY
@@ Linea 118: / Linea 121: @@
 export APPTAINERENV_NIM_CACHE=/nim-cache
 export APPTAINERENV_NIM_WORKSPACE=/nim-cache/workspace
+export APPTAINERENV_NIM_HTTP_API_PORT=$NIM_HTTP_API_PORT
 mkdir -p $HOME/nim-cache/workspace
-ip="$(hostname -s).hpc.unipr.it"
-read lowerport upperport < /proc/sys/net/ipv4/ip_local_port_range
-while :; do
-    port=$(shuf -i $lowerport-$upperport -n 1)
-    ss -lpna | grep -q ":$port " || break
-done
-#port=$(((RANDOM % (65535-49152)) + 49152))
-export NIM_HTTP_API_PORT=$port
-export APPTAINERENV_NIM_HTTP_API_PORT=$NIM_HTTP_API_PORT
-echo "ip: $ip port: $port"
-#  --network-args "portmap=$NIM_HTTP_API_PORT:8000" \
 apptainer instance run \
   --nv \
@@ Linea 143: / Linea 134: @@
 apptainer instance list
-# Attendo che il server boltz2 sia partito
+# Waiting for the boltz2 server to start
 until curl -sSf http://localhost:$NIM_HTTP_API_PORT/health/ready; do
-    echo "Server non pronto, attendo 10s..."
+    echo "Server not ready, waiting 10 seconds..."
     sleep 10
 done
-echo "Boltz2 server pronto!"
+echo "Boltz2 server ready!"
 # Testing boltz2
@@ Linea 155: / Linea 146: @@
 conda activate boltz2-env
 python $HOME/boltz2.py
 </code>