cc_staff
163
edits
AMBER: Difference between revisions
Jump to navigation
Jump to search
→Loading Amber and AmberTools modules
| Line 39: | Line 39: | ||
! AMBER version !! modules for running on CPUs !! modules for running on GPUs (CUDA) !! Notes | ! AMBER version !! modules for running on CPUs !! modules for running on GPUs (CUDA) !! Notes | ||
|- | |- | ||
| amber/18 || <code>StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 scipy-stack/2019a amber/18</code> || <code>StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 cuda/9.0.176 scipy-stack/2019a | | amber/18 || <code> StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 scipy-stack/2019a amber/18 </code> || <code> StdEnv/2016 gcc/5.4.0 openmpi/2.1.1 cuda/9.0.176 scipy-stack/2019a amber/18</code> || GCC, MKL | ||
amber/18</code> || GCC, MKL | |||
|}</tab> | |}</tab> | ||