IAC

IAC stands for "Instituto de Astrofísica de Canarias" and hosts 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.iac.es

ssh username@lapalma2.iac.es

ssh username@lapalma3.iac.es

User details

MOAB Commands

Command Description

checkjob provide detailed status report for specified job

checknode provide detailed status report for specified node

mcredctl controls various aspects about the credential objects within Moab

mdiag provide diagnostic reports for resources, workload, and scheduling

mjobctl control and modify job

mnodectl control and modify nodes

mrmctl query and control resource managers

mrsvctl create, control and modify reservations

mschedctl modify scheduler state and behavior

mshow displays various diagnostic messages about the system and job queues

mshow -a query and show available system resources

msub scheduler job submission

resetstats reset scheduler statistics

setspri adjust job/system priority of job

showbf show current resource availability

showq show queued jobs

showres show existing reservations

showstart show estimates of when job can/will start

showstate show current state of resources

showstats show usage statistics

showstats -f show various tables of scheduling/system performance

Commands Providing Maui Compatibility

Command Description

canceljob cancel job

changeparam change in memory parameter settings

diagnose provide diagnostic report for various aspects of resources, workload, and scheduling

releasehold release job defers and holds

releaseres release reservations

runjob force a job to run immediately

sethold set job holds

setqos modify job QOS settings

setres set an admin/user reservation

showconfig show current scheduler configuration

Queues

"Slurm+ MOAB" (essential information collected 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

Links

IAC Website