cc_staff
163
edits
AMBER: Difference between revisions
Jump to navigation
Jump to search
m
→Loading AmberTools 21
mNo edit summary |
|||
| Line 19: | Line 19: | ||
=== Non-GPU version === | === Non-GPU version === | ||
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 | ||
| Line 26: | Line 26: | ||
=== GPU version === | === GPU version === | ||
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 | ||