specify cuda version 12.0

Tufts-Technology-Services · Nov 8, 2024 · 7cdc6ec · 7cdc6ec
1 parent c07ef3f
commit 7cdc6ec
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Showing 2 changed files with 2 additions and 2 deletions.
diff --git a/Dockerfile b/Dockerfile
@@ -10,7 +10,7 @@ set -o noclobber \
 &&   echo '  specs:' \
 &&   echo '  - gmake @4.3' \
 &&   echo '  - libfabric fabrics=sockets,tcp,udp,psm2,verbs' \
-&&   echo '  - gromacs@2023%gcc +plumed +mpi +openmp +cuda ^[email protected]+cuda ^cuda ^slurm@23-02-7-1' \
+&&   echo '  - gromacs@2023%gcc +plumed +mpi +openmp +cuda ^[email protected]+cuda ^cuda@12.0 ^slurm@23-02-7-1' \
 &&   echo '    +pmix ^ucx' \
 &&   echo '  packages:' \
 &&   echo '    openmpi:' \

diff --git a/spack.yaml b/spack.yaml
@@ -2,7 +2,7 @@ spack:
   specs:
   - gmake @4.3
   - libfabric fabrics=sockets,tcp,udp,psm2,verbs
-  - gromacs@2023%gcc +plumed +mpi +openmp +cuda ^[email protected]+cuda ^cuda ^slurm@23-02-7-1 +pmix ^ucx 
+  - gromacs@2023%gcc +plumed +mpi +openmp +cuda ^[email protected]+cuda ^cuda@12.0 ^slurm@23-02-7-1 +pmix ^ucx 
   packages:
     openmpi:
       require: "+pmi+legacylaunchers fabrics=ucx schedulers=slurm"