Finding the maximum memory used by your Application

From Sharcnet HP

In this short video you will learn how to find the peak memory usage of your programs (serial or multi-threaded), on Graham and other Compute Canada national systems.

Running Arrays on PBS Professional

If you are intending to run the same program with the different input files, it is best you use Jobs Array instead of creating separate programs for the input files which is tedious. It is very easy

Amending the Submission Scripts (Part 1)

To create an arrays jobs, you have to use the -J option on the PBS Scripts. For 10 sub-jobs, you do the following

#PBS -J 1-10

Amending the Submission Scripts (Part 2)

If your input files are concatenated with a running number. For example, if your input file is data1.gjf, data2.gjf, data3.gjf, data4.gjf, data5.gjf ….. data10.gjf

inputfile=data$PBS_ARRAY_INDEX.gjf

Submitting the Jobs

a. To submit the jobs, just

% qsub yoursubmissionscript.pbs

Checking Jobs

b. You will notice that after you qstat, you will notice that your jobs bas a “B”

% qstat -u user1
544198[].node1 Gaussian-09e user1 0 B q32

You have to do a “-t” or “-Jt”

% qstat -t 544198[]

% qstat -t 544198[]
Job id Name User Time Use S Queue
---------------- ---------------- ---------------- -------- - -----
544198[].node1 Gaussian-09e user1 0 B q32
544198[54].node1 Gaussian-09e user1 00:40:21 R q32
544198[55].node1 Gaussian-09e user1 00:15:25 R q32

To delete the Sub Jobs

% qdel "544198[5]"

How HPC Enables Drug Design, and AstraZeneca Lessons in HPC

Dell Technologies HPC Community Event

HPC and accelerator-driven computing have become pivotal to drive research in Pharma. Where 5 years ago less than 1% of the researchers actively used HPC resources, AstraZeneca is driving a clear strategy to gain the majority of insights by 2025 through data and AI. This ambition is leading to a constant change in how our researchers work and are presenting an unstoppable appetite for computing.

We will discuss the journey of the last 5 years renewing the approach we are taking towards high-performance computing, explore use cases that are leveraging compute in significantly different ways, driving our research in innovative ways, and share an outlook and vision into our future direction.

To register https://dell.zoom.us/webinar/register/WN_LNxAOzXRQQyW_3nYwmwBnA

Graphics Trace Analyzer Deep Dive (Part 1)

Graphics Trace Analyzer Deep Dive | Part 1 | Configure and Capture a Trace | Intel Software

This video will demonstrate fundamental trace capture capabilities in Graphics Monitor that will aid in the configuration of a variety of performance data available for graphics application analysis trace files in Graphics Trace Analyzer.