mx/MX_Pmodule
1
0
Fork 0
Code Issues 1 Pull Requests Actions Packages Projects Releases Wiki Activity

Add NAMD/2.13_gpu variant

Browse Source 
Switched the non-gpu variant to the non-cuda version
This commit is contained in:
Spencer Bliven
2019-09-19 15:30:57 +02:00
parent 99f2c8159e
commit 6f9adf7fb3
2 changed files with 4 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
Tools/NAMD/README.md
View File

@@ -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:

1
Tools/NAMD/files/variants
View File

@@ -1 +1,2 @@
NAMD/2.13 unstable
NAMD/2.13_gpu unstable cuda/9.2.148