SUBDOCK on C7: Difference between revisions
Jump to navigation
Jump to search
(Created page with "notes for c7 users: on Cluster 7, use path /nfs/software/dock/versions/dock385/DOCK3.8/") |
No edit summary |
||
| Line 1: | Line 1: | ||
notes for | These are C7 specific notes for running [[SUBDOCK_DOCK3.8|SUBDOCK]] with [[DOCK 3.8]] on [[Cluster 7]]. | ||
on [[Cluster 7]], use path / | For the full SUBDOCK reference, see [[SUBDOCK_DOCK3.8]]. | ||
== What SUBDOCK does == | |||
SUBDOCK submits many DOCK jobs to a scheduler. | |||
On C7, the scheduler is SLURM, so SUBDOCK submits jobs with sbatch. | |||
== Main C7 Rule == | |||
C7 uses SLURM. Do not use SGE on C7. | |||
== Load Dock on C7 == | |||
module load dock | |||
echo $DOCK_INSTALL_PATH | |||
echo $DOCKBASE | |||
The DOCK executable is usually: | |||
${DOCK_INSTALL_PATH}/dock3/dock64 | |||
== Required SUBDOCK variables == | |||
export EXPOST_DEST=/path/to/output | |||
export INPUT_SOURCE=/path/to/split_database_index | |||
export DOCKFILES=/path/to/dockfiles | |||
export DOCKEXEC=${DOCK_INSTALL_PATH}/dock3/dock64 | |||
Revision as of 20:12, 22 June 2026
These are C7 specific notes for running SUBDOCK with DOCK 3.8 on Cluster 7. For the full SUBDOCK reference, see SUBDOCK_DOCK3.8.
What SUBDOCK does
SUBDOCK submits many DOCK jobs to a scheduler. On C7, the scheduler is SLURM, so SUBDOCK submits jobs with sbatch.
Main C7 Rule
C7 uses SLURM. Do not use SGE on C7.
Load Dock on C7
module load dock echo $DOCK_INSTALL_PATH echo $DOCKBASE
The DOCK executable is usually:
${DOCK_INSTALL_PATH}/dock3/dock64
Required SUBDOCK variables
export EXPOST_DEST=/path/to/output
export INPUT_SOURCE=/path/to/split_database_index
export DOCKFILES=/path/to/dockfiles
export DOCKEXEC=${DOCK_INSTALL_PATH}/dock3/dock64