User:Frodo: Difference between revisions

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This is the Frodo user pageFrodo is one of the identities John Irwin uses for maintaining the wiki and ZINC.
 
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;"'
 
= 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


[[Category:Lab members]]
[[Category:Lab members]]

Latest revision as of 23:13, 24 May 2024

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;"'

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