IAC

IAC stands for "Instituto de Astrofísica de Canarias" and host the LaPalma supercomputer. 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

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

NWChem

DLPOLY 2

Submission 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