From b8ca5a279785f8cf9ea1c90b3ec506d6e13ee849 Mon Sep 17 00:00:00 2001
From: Riyaz Haque <your-email@example.com>
Date: Fri, 16 Feb 2024 17:20:49 -0800
Subject: [PATCH] Set Openmp thread affinity to cores

---
 experiments/gromacs/cuda/ramble.yaml   | 8 ++++----
 experiments/gromacs/openmp/ramble.yaml | 2 +-
 2 files changed, 5 insertions(+), 5 deletions(-)

diff --git a/experiments/gromacs/cuda/ramble.yaml b/experiments/gromacs/cuda/ramble.yaml
index 16c6af0c..19dc1835 100644
--- a/experiments/gromacs/cuda/ramble.yaml
+++ b/experiments/gromacs/cuda/ramble.yaml
@@ -17,7 +17,7 @@ ramble:
           env_vars:
             set:
               OMP_PROC_BIND: close
-              OMP_PLACES: threads
+              OMP_PLACES: cores
               OMP_NUM_THREADS: '{omp_num_threads}'
           variables:
             experiment_setup: ''
@@ -46,16 +46,16 @@ ramble:
     packages:
       gromacs:
         spack_spec: gromacs@2023.3 +mpi+openmp+cuda~hwloc~double cuda_arch=={cuda_arch}
-        compiler: compiler-clang
+        compiler: default-compiler
       cuda:
         spack_spec: cuda@{default_cuda_version}+allow-unsupported-compilers
-        compiler: compiler-clang
+        compiler: default-compiler
     environments:
       gromacs:
         packages:
         - cuda
         - blas
         - lapack
-        - mpi-clang
+        - default-mpi
         - fftw
         - gromacs
diff --git a/experiments/gromacs/openmp/ramble.yaml b/experiments/gromacs/openmp/ramble.yaml
index 0ef0edd3..166bb962 100644
--- a/experiments/gromacs/openmp/ramble.yaml
+++ b/experiments/gromacs/openmp/ramble.yaml
@@ -17,7 +17,7 @@ ramble:
           env_vars:
             set:
               OMP_PROC_BIND: close
-              OMP_PLACES: threads
+              OMP_PLACES: cores
               OMP_NUM_THREADS: '{omp_num_threads}'
           variables:
             experiment_setup: ''