From f24c03a905b94ee0e38bca266ee45863f2bb0326 Mon Sep 17 00:00:00 2001
From: Matthias Krack <matthias.krack@psi.ch>
Date: Mon, 16 Feb 2026 21:35:54 +0100
Subject: [PATCH] Set CUDA_CACHE_DISABLE

---
 tools/docker/Dockerfile.test_spack_psmp-P100 | 8 ++++++++
 tools/docker/Dockerfile.test_spack_ssmp-P100 | 8 ++++++++
 tools/docker/generate_dockerfiles.py         | 8 ++++++++
 3 files changed, 24 insertions(+)

diff --git a/tools/docker/Dockerfile.test_spack_psmp-P100 b/tools/docker/Dockerfile.test_spack_psmp-P100
index f6ff15f9d1..047c9914a1 100644
--- a/tools/docker/Dockerfile.test_spack_psmp-P100
+++ b/tools/docker/Dockerfile.test_spack_psmp-P100
@@ -39,6 +39,10 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
 # Setup CUDA environment
 ENV LD_LIBRARY_PATH /usr/local/cuda/lib64
 
+# Disable JIT cache as there seems to be an issue with file locking on overlayfs
+# See also https://github.com/cp2k/cp2k/pull/2337
+ENV CUDA_CACHE_DISABLE 1
+
 ARG SPACK_CACHE="s3://spack-cache --s3-endpoint-url=http://localhost:9000"
 
 # Copy CP2K repository into container
@@ -64,6 +68,10 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
 # Setup CUDA environment
 ENV LD_LIBRARY_PATH /usr/local/cuda/lib64
 
+# Disable JIT cache as there seems to be an issue with file locking on overlayfs
+# See also https://github.com/cp2k/cp2k/pull/2337
+ENV CUDA_CACHE_DISABLE 1
+
 WORKDIR /opt/cp2k
 
 # Install CP2K dependencies built with spack
diff --git a/tools/docker/Dockerfile.test_spack_ssmp-P100 b/tools/docker/Dockerfile.test_spack_ssmp-P100
index 970c9b937d..f5d0b2d702 100644
--- a/tools/docker/Dockerfile.test_spack_ssmp-P100
+++ b/tools/docker/Dockerfile.test_spack_ssmp-P100
@@ -39,6 +39,10 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
 # Setup CUDA environment
 ENV LD_LIBRARY_PATH /usr/local/cuda/lib64
 
+# Disable JIT cache as there seems to be an issue with file locking on overlayfs
+# See also https://github.com/cp2k/cp2k/pull/2337
+ENV CUDA_CACHE_DISABLE 1
+
 ARG SPACK_CACHE="s3://spack-cache --s3-endpoint-url=http://localhost:9000"
 
 # Copy CP2K repository into container
@@ -64,6 +68,10 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
 # Setup CUDA environment
 ENV LD_LIBRARY_PATH /usr/local/cuda/lib64
 
+# Disable JIT cache as there seems to be an issue with file locking on overlayfs
+# See also https://github.com/cp2k/cp2k/pull/2337
+ENV CUDA_CACHE_DISABLE 1
+
 WORKDIR /opt/cp2k
 
 # Install CP2K dependencies built with spack
diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py
index ea6f1c7454..d89df980e0 100755
--- a/tools/docker/generate_dockerfiles.py
+++ b/tools/docker/generate_dockerfiles.py
@@ -821,6 +821,10 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
             output += rf"""
 # Setup CUDA environment
 ENV LD_LIBRARY_PATH /usr/local/cuda/lib64
+
+# Disable JIT cache as there seems to be an issue with file locking on overlayfs
+# See also https://github.com/cp2k/cp2k/pull/2337
+ENV CUDA_CACHE_DISABLE 1
 """
     elif stage == "install":
         output = rf"""
@@ -859,6 +863,10 @@ RUN apt-get update -qq && apt-get install -qq --no-install-recommends \
             output += rf"""
 # Setup CUDA environment
 ENV LD_LIBRARY_PATH /usr/local/cuda/lib64
+
+# Disable JIT cache as there seems to be an issue with file locking on overlayfs
+# See also https://github.com/cp2k/cp2k/pull/2337
+ENV CUDA_CACHE_DISABLE 1
 """
     else:
         print(f"\nERROR: Unknown stage {stage} specified\n")