PALMA-NG

Overview

palma3 is the login node to a newer part of the PALMA system. It has various queues/partitions for different purposes:

• k20gpu: Four nodes equipped with 3 K20 nVidia Tesla accelerators each
• normal: 29 nodes with 32 Broadwell CPU cores (64 threads) each and 128 GB RAM.
• knl: Four nodes with a Xeon Phi Knights Landing accelerator
• requeue: Job in this queue will run on the nodes of the above mentioned 18 nodes. If your jobs are running on one of the exclusive nodes while jobs are put in there, your job will be terminated and requeued, so use with care.
• express: A partition for short running (test) jobs with a maximum walltime of 2 hours.

There are some special queues, which are only allowed for certain groups (these are also Broadwell nodes like in the normal queue):

• p0fuchs: 8 nodes for exclusive usage
• p0kulesz: 4 nodes for exclusive usage
• p0klasen: 1 nodes for exclusive usage
• p0kapp: 1 nodes for exclusive usage
• hims: 4 nodes for exclusive usage

Software/The module concept

The software on palma-ng can be accessed via modules. These are small script that set environment variables (like PATH and LD_LIBRARY_PATH) pointing to the locations where the software is installed (this is mostly on network drives so that the software is available on every node in the cluster). The module system we use here is LMOD (1). In contrast to the older environment modules we used on PALMA I and NWZPHI, there is the new command "module spider". Please find more information on this below.

The most important difference between Palma I and palma-ng is the new introduced hierarchical module naming scheme (2)

(1) https://www.tacc.utexas.edu/research-development/tacc-projects/lmod

(2) https://hpcugent.github.io/easybuild/files/hust14_paper.pdf

• foss/2016b and foss/2017a GCC with OpenMPI
• intel/2016b and intel/2017a Intel Compiler with Intel MPI
• goolfc/2016.10 Only on the k20gpu nodes for CUDA

If you want to use the Intel compiler, you can type for example the following:

module add intel/2016b
module av

and you will see the software that has been compiled with this version. Alternatively you can use the "module spider" command.

Using the module command in submit scripts

This is only valid for the u0dawin queue

If you want to use the module command in submit scripts, the line

source /etc/profile.d/modules.sh; source /etc/profile.d/modules_local.sh

has to be added before. Otherwise, just put the "module add" commands in your .bashrc (which can be found in your home-directory).

Monitoring

Ganglia

If you have X forwarding enabled, you can use llview (Just type "llview" at the command line).

The batch system

The batch system on PALMA3 is SLURM, but there is a wrapper for PBS installed, so most of your skripts should still be able to work. If you want to switch to SLURM, this document might help you: https://slurm.schedmd.com/rosetta.pdf

When using PBS skript, there are some differences to PALMA:

• The first line of the submit script has to be #!/bin/bash
• A queue is called partition in terms of SLURM. These terms will be used synonymous here.
• The variable $PBS_O_WORKDIR will not be set. Instead you will start in the directory in which the script resides.
• For using the "module add" command, you will have to source some scripts first: "source /etc/profile.d/modules.sh; source /etc/profile.d/modules_local.sh"

Submit a job

Create a file for example called submit.cmd

#!/bin/bash

# set the number of nodes
#SBATCH --nodes=1

# set the number of CPU cores per node
#SBATCH --ntasks-per-node 8

# set a partition
#SBATCH --partition normal

# set max wallclock time
#SBATCH --time=24:00:00

# set name of job
#SBATCH --job-name=test123

# mail alert at start, end and abortion of execution
#SBATCH --mail-type=ALL

# set an output file
#SBATCH --output output.dat

# send mail to this address
#SBATCH --mail-user=your_account@uni-muenster.de

# In the u0dawin queue, you will need the following line
source /etc/profile.d/modules.sh; source /etc/profile.d/modules_local.sh

# run the application
./program

You can send your submission to the batch system with the command "sbatch submit.cmd"

A detailed description can be found here: http://slurm.schedmd.com/sbatch.html

Starting jobs with MPI-parallel codes

mpirun will get all necessary information from SLURM, if submitted appropriately. If you for example want to start 128 MPI ranks distributed to four nodes, you could do this the following way:

srun -p normal --nodes=2 --ntasks=128 --ntasks-per-node=64 --pty bash
mpirun ./program

or for an non-interactive run or put those parameters in the batch script.

For starting hybrid jobs (meaning that they are using MPI and OpenMP parallelization at the same time), you can use the --cpus-per-task switch.

srun -p normal --nodes=2 --ntasks=64 --ntasks-per-node=32 --cpus-per-task=2 --pty bash
OMP_NUM_THREADS=2 mpirun ./program

Using GPU resources

#SBATCH --gres=gpu:1

• kepler: the standard type which can be used for most calculations
• kepler_benchmark: an alternative type if you want to use the second and third GPU without the first

To specify a certain type use the following in your batch script:

#SBATCH --gres=gpu:kepler:1

Show information about the queues

scontrol show partition

Show information about the nodes

sinfo

Running interactive jobs with SLURM

Use for example the following command:

srun --partition express --nodes 1 --ntasks-per-node=8 --pty bash

This starts a job in the u0dawin queue/partition on one node with eight cores.

Information on jobs

List all current jobs for a user:

squeue -u <username>

List all running jobs for a user:

squeue -u <username> -t RUNNING

List all pending jobs for a user:

squeue -u <username> -t PENDING

List all current jobs in the normal partition for a user:

squeue -u <username> -p normal

List detailed information for a job (useful for troubleshooting):

scontrol show job -dd <jobid>

Once your job has completed, you can get additional information that was not available during the run. This includes run time, memory used, etc.

To get statistics on completed jobs by jobID:

sacct -j <jobid> --format=JobID,JobName,MaxRSS,Elapsed

To view the same information for all jobs of a user:

sacct -u <username> --format=JobID,JobName,MaxRSS,Elapsed

Show priorities for waiting jobs:

sprio

Controlling jobs

To cancel one job:

scancel <jobid>

To cancel all the jobs for a user:

scancel -u <username>

To cancel all the pending jobs for a user:

scancel -t PENDING -u <username>

To cancel one or more jobs by name:

scancel --name myJobName

To pause a particular job:

scontrol hold <jobid>

To resume a particular job:

scontrol resume <jobid>

To requeue (cancel and rerun) a particular job:

scontrol requeue <jobid>

-- Holger Angenent - 2016-08-22