diff --git a/agents/gromacs/tools/gromacs/Dockerfile b/agents/gromacs/tools/gromacs/Dockerfile index 08e14933..711a70a2 100644 --- a/agents/gromacs/tools/gromacs/Dockerfile +++ b/agents/gromacs/tools/gromacs/Dockerfile @@ -2,7 +2,7 @@ # ============================================================================ # Stage 1: Builder - Build GROMACS with CUDA support # ============================================================================ -FROM nvidia/cuda:12.6.3-devel-ubuntu22.04 AS builder +FROM nvidia/cuda:13.4.2-devel-ubuntu22.04 AS builder # GROMACS with GPU support - automatically falls back to CPU when no GPU present # Compatible with NVIDIA A100 (SM 8.0) and H100 (SM 9.0) GPUs, and CPU-only environments @@ -78,7 +78,7 @@ RUN set -eux; \ # ============================================================================ # Stage 2: Runtime - Minimal image with only runtime dependencies # ============================================================================ -FROM nvidia/cuda:12.6.3-devel-ubuntu22.04 AS runtime +FROM nvidia/cuda:13.4.2-devel-ubuntu22.04 AS runtime ENV DEBIAN_FRONTEND=noninteractive ENV APPS=/opt/apps