From ddfa2f3e71a44238accad97a22f2df411ff41a33 Mon Sep 17 00:00:00 2001
From: Sander Vandenhaute <svdenhau@gmail.com>
Date: Sat, 22 Jun 2024 09:29:35 -0400
Subject: [PATCH] modify docker

---
 Dockerfile | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/Dockerfile b/Dockerfile
index 57ff591..7cebc60 100644
--- a/Dockerfile
+++ b/Dockerfile
@@ -70,6 +70,9 @@ RUN echo '#!/bin/bash' >> /opt/entry.sh && \
     echo 'source /opt/venv/bin/activate' >> /opt/entry.sh && \
     echo 'export PLUMED_KERNEL=/usr/local/plumed/lib/libplumedKernel.so' >> /opt/entry.sh && \
     echo 'export OMP_PROC_BIND=close' >> /opt/entry.sh && \
+    echo 'export OMP_SCHEDULE=static' >> /opt/entry.sh && \
+    echo 'export KMP_AFFINITY=granularity=fine,compact,1,0' >> /opt/entry.sh && \
+    echo 'export KMP_BLOCKTIME=1' >> /opt/entry.sh && \
     echo '"$@"' >> /opt/entry.sh
 RUN chmod +x /opt/entry.sh
 ENTRYPOINT ["/opt/entry.sh"]