Editing IAC

LaPalma comprises 256 JS20 compute nodes (blades) and 4 p510 servers. Every blade has two processors at
2.2 GHz running Linux operating system with 4 GB of memory RAM and 40 GB local disk storage. All the
servers provide a total of 14 TB of disk storage accessible from every blade through GPFS (Global Parallel
File System).

The networks that interconnect the LaPalma are:

- Myrinet Network: High bandwidth network used by parallel applications communications.

- Gigabit Network: Ethernet network used by the blades to mount remotely their root file system from the servers and the network over which GPFS works.

== Access ==

There are 3 login blades:

ssh username@lapalma1.bsc.es

ssh username@lapalma2.bsc.es

ssh username@lapalma3.bsc.es


== User details ==

== Queues ==

"Slurm+MOAB" (essencial information from the User's Guide)

% '''mnsubmit <job_script>'''

submits a “job script” to the queue system (see below a script example).

% '''mnq'''

shows all the jobs submitted.

% '''mncancel <job_id>'''

remove his/her job from the queue system, canceling the execution of the processes, if they were
already running.

% '''checkjob <job_id>'''

obtains detailed information about a specific job, including the assigned nodes and the possible
reasons preventing the job from running.

% '''mnstart <job_id>'''

shows information about the estimated time for the specified job to be executed.

== Avaliable Programs ==

[http://aliga.iciq.es/wiki/index.php/NWCHEM NWChem]

[http://aliga.iciq.es/wiki/index.php/DL_POLY_2 DLPOLY 2]


== NWChem Script ==
 
 #!/bin/bash
 # @ job_name      = job
 # @ initialdir    = .
 # @ output        = OUTPUT/mpi_%j.out
 # @ error         = OUTPUT/mpi_%j.err
 # @ total_tasks   = 64
 # @ wall_clock_limit = 12:00:00
 
 srun /gpfs/apps/NWCHEM/4.7/bin/LINUX64_POWERPC/nwchem job.nw >& job.out