cc_staff
163
edits
AMBER: Difference between revisions
Jump to navigation
Jump to search
m
no edit summary
mNo edit summary |
mNo edit summary |
||
| Line 20: | Line 20: | ||
module load StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 ambertools/21 | module load StdEnv/2020 gcc/9.3.0 openmpi/4.0.3 ambertools/21 | ||
source $EBROOTAMBERTOOLS/amber.sh | |||
source $EBROOTAMBERTOOLS/amber.sh | |||
Provides the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP | Provides the following MD engines: sander, sander.LES, sander.LES.MPI, sander.MPI, sander.OMP | ||
| Line 29: | Line 28: | ||
<!--T:17--> | <!--T:17--> | ||
module load StdEnv/2020 gcc/9.3.0 cuda/11.0 openmpi/4.0.3 ambertools/21 | module load StdEnv/2020 gcc/9.3.0 cuda/11.0 openmpi/4.0.3 ambertools/21 | ||
source $EBROOTAMBERTOOLS/amber.sh | 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 | 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--> | ||