cc_staff
163
edits
AMBER: Difference between revisions
m
no edit summary
mNo edit summary |
mNo edit summary |
||
| Line 12: | Line 12: | ||
To see a list of installed versions and which other modules they depend on, you can use the [[Using modules#Sub-command_spider|<code>module spider</code>]] command or check the [[Available software]] page. | To see a list of installed versions and which other modules they depend on, you can use the [[Using modules#Sub-command_spider|<code>module spider</code>]] command or check the [[Available software]] page. | ||
==Loading AmbeTools 21== <!--T:19--> | |||
Currently, AmberTools21 is available on all clusters. | |||
=== Non-GPU version === <!--T:17--> | |||
module load StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 ambertools/21 | |||
source $EBROOTAMBERTOOLS/amber.sh | |||
Provides the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP | |||
=== GPU version === <!--T:11--> | |||
<!--T:17--> | |||
module load StdEnv/2020 gcc/9.3.0 cuda/11.0 openmpi/4.0.3 ambertools/21 | |||
source $EBROOTAMBERTOOLS/amber.sh | |||
Provides the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP, sander.quick.cuda, sander.quick.cuda.MPI | |||
==Loading Amber 20== <!--T:8--> | ==Loading Amber 20== <!--T:8--> | ||