cc_staff
229
edits
NAMD: Difference between revisions
Jump to navigation
Jump to search
add mention of NAMD 2.13
(add mention of NAMD 2.13) |
|||
| Line 40: | Line 40: | ||
<!--T:12--> | <!--T:12--> | ||
Note: Using a verbs library is more efficient than using OpenMPI, hence only verbs versions are provided on systems where those are supported. Currently verbs versions do not work on cedar as they are incompatible with the communications fabric, so use MPI version instead. | Note: Using a verbs library is more efficient than using OpenMPI, hence only verbs versions are provided on systems where those are supported. Currently verbs versions do not work on cedar as they are incompatible with the communications fabric, so use MPI version instead. | ||
Newest '''NAMD 2.13''' is now also available. To load the GPU-enabled versions, first run | |||
:<code>module load cuda/10.0.130</code> | |||
= Submission scripts = <!--T:13--> | = Submission scripts = <!--T:13--> | ||