Search results

Information on how to use the Shoichet Lab Cluster. Note this information is only relevant if you have ssh access to the cluster.

...le, the number of the cluster of interest, and names for the output files. Information is sent to the screen while the spheres are being read in, and while the su

== SGE Cluster Information == ...head.compbio.ucsf.edu' is the submit machine for the Sun Grid Engine (SGE) cluster. wilco is also authorized to submit jobs.

...ty. You need to ask the [[sysadmin]]s about portal access. We do not post information about portals or how they function in a public forum. Ever. Please. What this means in practice is that you cannot ssh to our cluster unless you follow very specific instructions. You may however ssh *out* and

...ueues, flags, ...) can be found in the [https://salilab.org/qb3cluster QB3 cluster wiki]. It is password-protected and will be accessible once you have obtain ...ser name, name of PI) to Joshua Baker-LePain (jlb at salilab dot org), the cluster administrator.

...erience. If there are repeat offenders (three crashes without any further information), we should consider dismantling the machine.

Cluster 4 is our self-centric name for the SciNet cluster in Canada. (1.4) In your personal information.

To use the CLI, you'll need to be on alpha, where puppet is hosted on Cluster 2. More information

''Pascal'': the write load on a disk even when the entire cluster is filled with DOCK jobs is negligible, i.e., it rarely happens that two jo ...t2</tt> files, which should be appended to <tt>amb.crg.oxt</tt>. Find more information [[Preparing the protein#Tarting the protein|here]].

On our cluster, you only need to type: The output is a csv file, containing the strain energy and detailed information for each compound in mol2 or each conformation in db2.

Click "Override" on '''variant''' and enter "Cluster" in Value at the bottom # Additional Information

Meaning the script will find all vendor information and smiles associated with the provided zinc ids or vendor codes. ...find the script and environment @ /nfs/soft/zinc22/search_zinc on the BKS cluster.

...ring a job. Here you upload your data to the DOCK Blaster server. For more information about the data formats, please see [[DOCK Blaster:Prepare Input | Prepare I ...the server, and the Scrutinizer checks the data for consistency. For more information about the Scrutinizer, and the many ways it can complain about your data, p

* Go to marketplace, search for "hpc". Find a stack called simply "HPC Cluster". Click on that, accept the agreement, select the compartment you just crea * Click next to proceed past the first step, "Stack Information". In the second step, "Configure Variables", paste the ssh key you just gen

On our cluster, you may source my environment. The output is a csv file, containing the total strain energy and detailed information of each dihedral sorted by its torsion energy.

If you do not already have a cluster with middleware, see: [[So you want to set up a lab]]. ** More information [http://www.eyesopen.com/oechem-tk here for OEChem TK]

...of DOCK) to flood the surface of the protein with spheres, which are then cluster by distance. OUTSPH is the file containing the information about sphere genereation

This tutorial shows how to do parallel search of smi files on the cluster. The files and scripts can be found in /nfs/home/jizhou/ex7/2D/test-paralle ...up searching. The performance of qsub depends on the workload of the whole cluster. Generally, searching with qsub has good scalability.

Our puppet modules exist in two places: /opt/bks/src/cluster/puppet/modules & /etc/puppet/modules <br /> To generate a new Puppet module, we first go to /opt/bks/src/cluster/puppet/modules. Decide on what you want to call it. Notice in this direct

This is a list of machines/servers that we have on our cluster. Additionally, we'll try to keep this page updated with the compatible RAM ===File Server RAID drives Information===