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4 changes: 2 additions & 2 deletions agents/gromacs/tools/gromacs/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -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
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