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Grant is part of the Institute for Soldier Nanotechnology (ISNs) computing cluster located in Tech Square. It is a 55 node cluster divided into two distinct queues: the myrinet queue (for all nodes that have myrinet cards) and the nomyrinet queue (for all nodes that do not have myrinet cards). Specifically
- Node 1: Master Node. Common courtesy is to not run on it.
- Nodes 2-34: Nodes on the myrinet queue
- Nodes 2-32 have two processors
- Nodes 33 and 34 have four processors
- Nodes 35-53: Nodes on the nomyrinet queue
- Nodes 54-55: Nonqueued interactive nodes for script testing.
Submitting a job directly (not to the queueing system)
Grant uses the standard LAM environment for parrallel computing so submitting a job is as
- Determining which nodes you want to use
- Creating a machine file (usually called machine) like the one below which says to use two processors of node12 and 1 processor of node13.
- Submitting the job with mpirun like this. In this case the machinefile is called "machine", the number of processors is specified as 3.
Example Job Submission Command
mpirun -machinefile machine -np 3 pw.x < infile > outfile
Example Machines File
- A custom usage script called gusage exists. It can be run by one of the two following commands
- Franks and grant share the same home partition.
- As we only have one user for the entire group (marzari)
- Each user should make a home directory as a subdirectory of /home/marzari
- Basic compiled versions of espresso exist /home/marzari/codes for both franks and grant.
- Altering the environment should be done sparingly. Notification of alterations should be e-mailed to the entire group.
- Nodes 10 and 20 are unable to run quantum-espresso for unknown reasons.
The group members in charge of grant are
- Nicolas Miller
- Young-Su Lee
- Michael Tambe