diff --git a/Tools/NAMD/README.md b/Tools/NAMD/README.md index d7a5ebe..12cd7a6 100644 --- a/Tools/NAMD/README.md +++ b/Tools/NAMD/README.md @@ -11,7 +11,9 @@ Installation 1. A NAMD account is needed to download binaries 2. Create new directory `/opt/psi/MPI/NAMD/$VERSION` 3. Download the latest binary. - - Use `NAMD_$VERSION_Linux-x86_64-ibverbs-smp-CUDA.tar.gz` + - Use `NAMD_$VERSION_Linux-x86_64-verbs-smp-CUDA.tar.gz` for _gpu + - Use `NAMD_$VERSION_Linux-x86_64-verbs-smp.tar.gz` for non-gpu + 4. Unpack to the new directory with `tar -xzvf NAMD*.tar.gz --strip-components=1 -C /opt/psi/MPI/NAMD/$VERSION` 5. Clean up: diff --git a/Tools/NAMD/files/variants b/Tools/NAMD/files/variants index 4cf6851..ea87387 100644 --- a/Tools/NAMD/files/variants +++ b/Tools/NAMD/files/variants @@ -1 +1,2 @@ NAMD/2.13 unstable +NAMD/2.13_gpu unstable cuda/9.2.148