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升级 NUPACK 4.1 并支持混合材料设计

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Lihatoo 2026-08-20 16:33:16 +08:00
parent 5daa60a464
commit c6189d857d
33 changed files with 5830 additions and 466 deletions
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15
docker-compose.yml
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@ -9,7 +9,7 @@ services:
- ./runtime/redis:/data
np-replica:
image: 100.64.0.2:13000/lihato/np_app:v4.8
image: 100.64.0.2:13000/lihato/np_app:v5.4-nupack4.1.0.1
build:
context: .
dockerfile: Dockerfile
@ -33,10 +33,15 @@ services:
NP_OIDC_CLIENT_ID: npt-replica-web
NP_OIDC_REDIRECT_URI: https://npt.lihato.icu/auth/callback
NP_OIDC_POST_LOGOUT_URI: https://npt.lihato.icu/
NP_ADMIN_TOKEN: ${NP_ADMIN_TOKEN:-}
NP_ADMIN_SESSION_TTL_SECONDS: ${NP_ADMIN_SESSION_TTL_SECONDS:-28800}
NP_ADMIN_COOKIE_SECURE: ${NP_ADMIN_COOKIE_SECURE:-1}
NP_JOB_TTL_SECONDS: 3600
NP_WORKER_CONCURRENCY: 16
NP_WORKER_CONCURRENCY: auto
NP_PER_JOB_THREAD_LIMIT: 4
NP_NUPACK_CACHE_GB: 8.0
NP_WORKER_MEMORY_RESERVE_GB: 4.0
NP_ESTIMATED_JOB_MEMORY_GB: 9.0
OMP_NUM_THREADS: 4
OPENBLAS_NUM_THREADS: 4
MKL_NUM_THREADS: 4
@ -45,7 +50,7 @@ services:
GOTO_NUM_THREADS: 4
np-worker:
image: 100.64.0.2:13000/lihato/np_app:v4.8
image: 100.64.0.2:13000/lihato/np_app:v5.4-nupack4.1.0.1
container_name: np-worker
restart: always
mem_limit: 56g
@ -58,9 +63,11 @@ services:
NP_REDIS_URL: redis://redis:6379/0
NP_ACCOUNT_DB_PATH: /data/np-replica.sqlite3
NP_JOB_TTL_SECONDS: 3600
NP_WORKER_CONCURRENCY: 16
NP_WORKER_CONCURRENCY: auto
NP_PER_JOB_THREAD_LIMIT: 4
NP_NUPACK_CACHE_GB: 8.0
NP_WORKER_MEMORY_RESERVE_GB: 4.0
NP_ESTIMATED_JOB_MEMORY_GB: 9.0
OMP_NUM_THREADS: 4
OPENBLAS_NUM_THREADS: 4
MKL_NUM_THREADS: 4