User:Frodo: Difference between revisions
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This is the Frodo user page. Frodo is one of the identities John Irwin uses for maintaining the wiki and ZINC. | This is the Frodo user page. Frodo is one of the identities John Irwin uses for maintaining the wiki and ZINC. | ||
* Curator: [[Idioms]] [[ZINC15:videos]] | |||
move dbraw disks | |||
/opt/bks/src/cluster/puppet/modules/bks-nfs_mounts/ | |||
chcon system_u:object_r:nfs_t:s0 ex3/dbraw/zinc/?? ex3/dbraw/zinc ex3/dbraw ex3 | |||
ln -sf /nfs/ex3/dbraw/zinc/80 . | |||
puppet module build . | |||
how to monitor on mem | |||
watch 'df /var/lib/pgsql ; tail /var/lib/pgsql/9.2/data/pg_log/postgresql-Tue.log ; psql -c "select now() - pg_last_xact_replay_timestamp() AS replication_delay;"' | |||
= things to explore = | |||
* kekule.js | |||
= idioms = | |||
Build covalent library as jji | |||
qsub -t 1-1 ~/bin/example_covalent_wrapper.sh `readlink -f ..` | |||
Build non-cov library as jji | |||
http://zinc15.docking.org/genes/EGFR/activities/subsets/100nM/having/substance/subsets/fda/ | |||
Build non-cov library as xyz | |||
Run sea kraken as xyz | |||
qsub -t 1-N ~/bin/sea-wrapper.csh `readlink -f ..` | |||
Set up for cov dock | |||
$DOCKBASE/docking/setup/setup_db2.csh /nfs/work/jji/docking/lib2/ahl/one/gz_files | |||
$DOCKBASE/docking/submit/submit.csh | |||
cd /opt/bks/src/cluster/puppet/modules/bks-packages/manifests | |||
vi init.pp and add package | |||
puppet parser validate init.pp | |||
cd .. | |||
vi Modulefile (up number) | |||
puppet module build . | |||
puppet module install -f pkg/bks-packages-0.0.26.tar.gz | |||
Then on client machine (or just wait 30 mins, assuming puppet agent is running) | |||
puppet agent -t | |||
(in the zinc15-env) | |||
python -m zinc.management shell (Open a ZINC15 shell) | |||
python -m zinc.management server (Start a single-core test server) | |||
zincserver.start-backend.sh (start the multicore backend as the current user) | |||
zincserver.stop-backend.sh (stop the multicore backend as the current user) | |||
Config/logs/pid file, etc. is all in /nfs/soft/www/apps/zinc15/run/<HOSTNAME>/... | |||
[[Category:Lab members]] | [[Category:Lab members]] | ||
[[Category:jji]] |
Latest revision as of 17:42, 3 May 2021
This is the Frodo user page. Frodo is one of the identities John Irwin uses for maintaining the wiki and ZINC.
- Curator: Idioms ZINC15:videos
move dbraw disks
/opt/bks/src/cluster/puppet/modules/bks-nfs_mounts/ chcon system_u:object_r:nfs_t:s0 ex3/dbraw/zinc/?? ex3/dbraw/zinc ex3/dbraw ex3 ln -sf /nfs/ex3/dbraw/zinc/80 . puppet module build .
how to monitor on mem
watch 'df /var/lib/pgsql ; tail /var/lib/pgsql/9.2/data/pg_log/postgresql-Tue.log ; psql -c "select now() - pg_last_xact_replay_timestamp() AS replication_delay;"'
things to explore
- kekule.js
idioms
Build covalent library as jji
qsub -t 1-1 ~/bin/example_covalent_wrapper.sh `readlink -f ..`
Build non-cov library as jji
http://zinc15.docking.org/genes/EGFR/activities/subsets/100nM/having/substance/subsets/fda/
Build non-cov library as xyz
Run sea kraken as xyz
qsub -t 1-N ~/bin/sea-wrapper.csh `readlink -f ..`
Set up for cov dock
$DOCKBASE/docking/setup/setup_db2.csh /nfs/work/jji/docking/lib2/ahl/one/gz_files $DOCKBASE/docking/submit/submit.csh
cd /opt/bks/src/cluster/puppet/modules/bks-packages/manifests vi init.pp and add package puppet parser validate init.pp cd .. vi Modulefile (up number) puppet module build . puppet module install -f pkg/bks-packages-0.0.26.tar.gz
Then on client machine (or just wait 30 mins, assuming puppet agent is running)
puppet agent -t
(in the zinc15-env)
python -m zinc.management shell (Open a ZINC15 shell) python -m zinc.management server (Start a single-core test server)
zincserver.start-backend.sh (start the multicore backend as the current user) zincserver.stop-backend.sh (stop the multicore backend as the current user)
Config/logs/pid file, etc. is all in /nfs/soft/www/apps/zinc15/run/<HOSTNAME>/...