...
Tip | ||
---|---|---|
| ||
Use our summer school reservation (BIO_DATA_week_1CoreNGS-Tue) when submitting batch jobs to get higher priority on the stampede2 ls6 normal queue during this course today:
Note that the reservation (BIO_DATA_week_1name (CoreNGS-Tue) is different from the TACC allocation/project for this class, which is UT-2015-05-18 OTH21164. |
Table of Contents |
---|
Anchor | ||||
---|---|---|---|---|
|
When you SSH into stampede2 ls6, your session is assigned to one of a small set of login nodes (also called head nodes). These are not separate from the cluster compute nodes that will run your jobs.
Think of a node as a computer, like your laptop, but probably with more cores and memory. Now multiply that computer a thousand or more, and you have a cluster.
...
The small set of login nodes are a shared resource (type the users command to see everyone currently logged in) and are not meant for running interactive programs – for that you submit a description of what you want done to a batch system, which farms distributes the work out to one or more compute nodes.
...
Here is a comparison of the configurations and ls6 and stampede2. As you can see, stampede2 is the larger cluster, launched in 2017, but ls6, launched this yearom 2022, has fewer but more powerful nodes.
ls6 | stampede2 | |
---|---|---|
login nodes | 3 128 cores each | 6 28 cores each |
standard compute nodes | 560 AMD Epyc Milan processors 128 cores per node | 4,200 KNL (Knights Landing) processors
1,736 SKX (Skylake) processors
|
GPU nodes | 16 totalAMD Epyc Milan processors 128 cores per nod 2x NVIDIA A100 GPUs | -- |
batch system | SLURM | SLURM |
maximum job run time | 48 hours, normal queue 2 hours, development queue | 96 hours on KNL nodes, normal queue 48 hours on SKX nodes, normal queue 2 hours, development queue |
Note the use of the term virtual core above on stampede2. Compute cores are standalone processors – mini CPUs, each of which can execute separate sets of instructions. However modern cores may also have hyper-threading enabled, where a single core can appear as more than one virtual processor to the operating system (see https://en.wikipedia.org/wiki/Hyper-threading for more on hyper-threading). For example, stampede2 nodes have 2 or 4 hyperthreads (HTs) per core. So KNL nodes with 4 HTs for each of the 68 physical cores, have a total of 272 virtual cores.
User guides for ls6 and stampede2 can be found at:
- https://portal.tacc.utexas.edu/user-guides/lonestar6
- https://portal.tacc.utexas.edu/user-guides/stampede2
User guides for ls6 and stampede2 can be found at:
- https://portal.tacc.utexas.edu/user-guides/lonestar6
- https://portal.tacc.utexas.edu/user-guides/stampede2
Unfortunately, the TACC user guides Unfortunately, the TACC user guides are aimed towards a different user community – the weather modelers and aerodynamic flow simulators who need very fast matrix manipulation and other high performance computing High Performance Computing (HPC) features. The usage patterns for bioinformatics – generally running 3rd party tools on many different datasets – datasets – is rather a special case for HPC. TACC calls our type of processing "parameter sweep jobs" and has a special process for running them, using their launcher modulehas a special process for running them, using their launcher module.
About cores and hyperthreads
Note the use of the term virtual core on stampede2. Compute cores are standalone processors – mini CPUs, each of which can execute separate sets of instructions. However modern cores may also have hyperthreading enabled, where a single core can appear as more than one virtual processor to the operating system (see https://en.wikipedia.org/wiki/Hyper-threading). For example, stampede2 nodes have 2 or 4 hyperthreads (HTs) per core. So KNL nodes with 4 HTs for each of the 68 physical cores, have a total of 272 virtual cores.
Threading is an operating system scheduling mechanism for allowing one CPU/core to execute multiple computations, seemingly in parallel.
The writer of a program that takes advantage of threading first identifies portions of code that can run in parallel because the computations are independent. The programmer assigns some number of threads to that work (usually based on a command-line option) using specific thread and synchronization programming language constructs. An example is the the samtools sort -@ N option to specify N threads can be used for sorting independent sets of the input alignments.
If there are multiple cores/CPUs available, the operating system can assign a program thread to each of them for actual parallelism. But only "seeming" (or virtual) parallelism occurs if there are fewer cores than the number of threads specified.
Suppose there's only one core/CPU. The OS assigns program thread A to the core to run until the program performs an I/O operation that causes it to be "suspended" for the I/O operation to complete. During this time, when normally the CPU would be doing nothing but waiting on the I/O to complete, the OS assigns program thread B to the CPU and lets it do some work. This threading allows more efficient use of existing cores as long as the multiple program threads being assigned do some amount of I/O or other operations that cause them to suspend. But trying to run multiple compute-only, no-I/O programs using multiple threads on one CPU just causes "thread thrashing" -- OS scheduler overhead when threads are suspended for time, not just I/O.
The analogy is a grocery store where there are 5 customers (threads). If there are 5 checkout lines (cores), each customer (thread) can be serviced in a separate checkout line (core). But if there's only one checkout line (core) open, the customers (threads) will have to wait in line. To be a more accurate analogy, any checkout clerk would be able to handle some part of checkout for each customer, then while waiting for the customer to find and enter credit card information, the clerk could handle a part of a different customer's checkout.
Hyperthreading is just a hardware implementation of OS scheduling. Each CPU offers some number of "virtual cores" (hyperthreads) that can "almost" act like separate cores using various hardware tricks. Still, if the work assigned to multiple hyperthreads on a single core does not pause from time to time, thread thrashing will occur.
Software at TACC
Programs and your $PATH
When you type in the name of an arbitrary program (ls for example), how does the shell know where to find that program? The answer is your $PATH. $PATH is a pre-defined predefined environment variable whose value is a list of directories.The shell looks for program names in that list, in the order the directories appear.
...
For example, the following module load command makes the fastqc FASTQ file quality checking program singularity container management system available to you:
Code Block | ||||
---|---|---|---|---|
| ||||
# first type "matlabsingularity" to show that it is not present in your environment: matlabsingularity # it's not on your $PATH either: which matlabsingularity # now add biocontainers matlabtoto your environment and try again: module load matlabbiocontainers # and see how singularity it'sis now on your $PATH: which matlabsingularity # you can see the new directory at the front of $PATH echo $PATH # to remove it, use "unload" module unload matlabbiocontainers matlabsingularity # gone from $PATH again... which matlabsingularity |
TACC BioContainers modules
...
TACC obtains its containers from BioContainers (https://biocontainers.pro/ and https://github.com/BioContainers/containers), a large public repository of bioinformatics tool Singularity containers. This has allowed TACC to easily provision thousands of such tools!
These BioContainers are not visible in TACC's "standard" module system, but only after the master biocontainers module is loaded. Once it has been loaded, you can search for your favorite bioinformatics program using module spider.
Code Block | ||
---|---|---|
| ||
# Verify that samtools is not available samtools # and cannot be found in the standard module system module spider samtools # Load the BiocontainersBioContainers master module (this takes a while) module load biocontainers # Now look for these programs module spider samtools module spider Rstats module spider kallisto module spider bowtie2 module spider minimap2 module spider multiqc module spider GATKgatk module spider velvet |
Notice how the BioContainers module names have "ctr" in their names, version numbers, and other identifying information.
Tip |
---|
The standard TACC module system has been phased out for bioinformatics programs, so always look for your application in BioContainers. While it's great that there are now hundreds of programs available through BioContainers, the one drawback is that they can only be run on cluster compute nodes, not on login nodes. To test test BioContainer program interactively, you will need to use TACC's idev command to obtain an interactive cluster node. More on this shortly... |
...
For one thing, remember that your $HOME directory quota is fairly small (10 GB on ls6), and that can fill up quickly if you install many programs. We recommend creating an installation area in your $WORK directory and installing programs there. You can then make symbolic links to the binaries you need in your $HOME~/local/bin directory (which was added to your $PATH in your .bashrc).
...
Code Block | ||||
---|---|---|---|---|
| ||||
ls -l ~/local/bin | ||||
Expand | ||||
title | Where is the real# this will tell you the real location of the launcher_creator.py | script?/work2script is # /work/projects/BioITeam/common/bin/launcher_creator.py |
Warning | ||
---|---|---|
| ||
Remember that the order of locations in the $PATH environment variable is the order in which the locations will be searched. In particular, the (non-BioContainers) module load command adds to the front of your path. This can mask similarly-named programs, for example, in your $HOME/local/bin directory. |
...
Job Execution
Job execution is controlled by the SLURM batch system on both stampede2 and ls6.
...
The process of running the job involves these steps:
- Create a commands file containing exactly one task per line.
- Prepare a job control file for the commands file that describes how the job should be run.
- You submit the job control file to the batch system. The job is then said to be queued to run.
- The batch system prioritizes the job based on the number of compute nodes needed and the job run time requested.
- When compute nodes become available, the job tasks (command lines in the <job_name>.cmds file) are assigned to one or more compute nodes and begin to run in parallel.
- The job completes when either:
- you cancel the job manually
- all job tasks in the job complete (successfully or not!)
- the requested job run time has expired
SLURM at a glance
Here are the main components of the SLURM batch system.
stampede2, ls5 | |
---|---|
batch system | SLURM |
batch control file name | <job_name>.slurm |
job submission command | sbatch <job_name>.slurm |
job monitoring command | showq -u |
job stop command | scancel -n <job name> |
Simple example
Let's go through a simple example. Execute the following commands to copy a pre-made simple.cmds commands file:
...
What are the tasks we want to do? Each task corresponds to one line in the simple.cmds commands file, so let's take a look at it using the cat (concatenate) command that simply reads a file and writes each line of content to standard output (here, your Terminal):
Code Block | ||||
---|---|---|---|---|
| ||||
cat simple.cmds |
The tasks we want to perform look like this:
Code Block | ||||
---|---|---|---|---|
| ||||
sleep 5; echo "Command 1 on `hostname` - `date`" > cmd1.log 2>&1 sleep 5; echo "Command 2 on `hostname` - `date`" > cmd2.log 2>&1 sleep 5; echo "Command 3 on `hostname` - `date`" > cmd3.log 2>&1 sleep 5; echo "Command 4 on `hostname` - `date`" > cmd4.log 2>&1 sleep 5; echo "Command 5 on `hostname` - `date`" > cmd5.log 2>&1 sleep 5; echo "Command 6 on `hostname` - `date`" > cmd6.log 2>&1 sleep 5; echo "Command 7 on `hostname` - `date`" > cmd7.log 2>&1 sleep 5; echo "Command 8 on `hostname` - `date`" > cmd8.log 2>&1 |
There are 8 tasks. Each is a simple echo command that just outputs task sleeps for 5 seconds, then uses the echo command to output a string containing the task number and date to a different log file after sleeping for 5 secondsnamed for the task number. Notice that we can put two commands on one line if they are separated by a semicolon ( ; ).
Use the handy launcher_creator.py program to create the job submission scriptcontrol file.
Code Block | ||||
---|---|---|---|---|
| ||||
launcher_creator.py -j simple.cmds -n simple -t 00:01:00 -a OTH21164 -q normaldevelopment |
You should see output something like the following, and you should see a simple.slurm batch submission file in the current directory.
Code Block |
---|
Project simple. Using job file simple.cmds. Using normaldevelopment queue. For 00:01:00 time. Using OTH21164 allocation. Not sending start/stop email. Launcher successfully created. Type "sbatch simple.slurm" to queue your job. |
Submit your batch job like this, then check the batch queue to see the job's status.
Code Block | ||||
---|---|---|---|---|
| ||||
sbatch simple.slurm --reservation CoreNGS_Day1 showq -u # Output looks something like this: ------------------------------------------------------------- Welcome to the Lonestar6 Supercomputer ------------------------------------------------------------- No reservation for this job --> Verifying valid submit host (login1)...OK --> Verifying valid jobname...OK --> Verifying valid ssh keys...OK --> Verifying access to desired queue (normal)...OK --> Checking available allocation (OTH21164)...OK Submitted batch job 232542 |
The queue status will show your job as ACTIVE while its running, or WAITING if not.
Code Block |
---|
SUMMARY OF JOBS FOR USER: <abattenh> ACTIVE JOBS-------------------- JOBID JOBNAME USERNAME STATE NODES REMAINING STARTTIME ================================================================================ 232542924965 simple abattenh Running 1 0:00:5442 ThuSat Jun 93 1121:3033:1831 WAITING JOBS------------------------ JOBID JOBNAME USERNAME STATE NODES WCLIMIT QUEUETIME ================================================================================ Total Jobs: 1 Active Jobs: 1 Idle Jobs: 0 Blocked Jobs: 0 |
If you don't see your simple job in either the ACTIVE or WAITING sections of your queue, it probably already finished – it should only run for a few seconds!
Notice in my queue status, where the STATE is Running, there is only one node assigned. Why is this, since there were 8 tasks?
Every job, no matter how few tasks requested, will be assigned at least one node. Each tlonestar6 lonestar6 node has 128 physical cores, so each of the 8 tasks can be assigned to a different core.
Exercise: What files were created by your job?
Expand | ||
---|---|---|
| ||
ls should show you something like this:
The newly created files are the .log files, as well as error and output logs simple.e2916562e924965 and simple.o2916562o924965. |
filename wildcarding
You can look at one of the output log files like this:
Code Block | ||||
---|---|---|---|---|
| ||||
cat cmd1.log |
But here's a cute trick for viewing the contents all your output files at once, using the cat command and filename wildcarding.
Code Block | ||||
---|---|---|---|---|
| ||||
cat cmd*.log |
The cat command actually takes can take a list of one or more files (if you're giving it files rather than standard input – more on this shortly) and outputs the concatenation of them to standard output. The asterisk ( * ) in cmd*.log is a multi-character wildcard that matches any filename starting with cmd then ending with .log. So it would match cmd_hello_worldwith cmd then ending with .log.
You can also specify single-character matches inside brackets ( [ ] ) in either of the ways below, this time using the ls command so you can better see what is matching:
...
This technique is sometimes called filename globbing, and the pattern a glob. Don't ask me why – it's a Unix thing. Globbing – translating a glob pattern into a list of files – is one of the handy thing the bash shell does for you. (Read more about Wildcards and special filenames. Pathname wildcards)
Exercise: How would you list all files starting with "simple"?
Expand | ||
---|---|---|
| ||
ls simple* |
Here's what my cat output looks like. Notice the times are all nearly the same because all the tasks ran in parallel. That's the power of cluster computing!
Code Block |
---|
Command 1 on c305c304-005.ls6.tacc.utexas.edu - ThuSat Jun 93 1121:3033:3950 CDT 20222023 Command 2 on c305c304-005.ls6.tacc.utexas.edu - ThuSat Jun 93 1121:3033:3344 CDT 20222023 Command 3 on c305c304-005.ls6.tacc.utexas.edu - ThuSat Jun 93 1121:3033:3346 CDT 20222023 Command 4 on c305c304-005.ls6.tacc.utexas.edu - ThuSat Jun 93 1121:3033:3847 CDT 20222023 Command 5 on c305c304-005.ls6.tacc.utexas.edu - ThuSat Jun 93 1121:3033:4051 CDT 20222023 Command 6 on c305c304-005.ls6.tacc.utexas.edu - ThuSat Jun 93 1121:3033:3847 CDT 20222023 Command 7 on c305c304-005.ls6.tacc.utexas.edu - ThuSat Jun 93 11:3021:33:51 CDT 20222023 Command 8 on c305c304-005.ls6.tacc.utexas.edu - ThuSat Jun 93 1121:3033:3949 CDT 20222023 |
echo
Lets take a closer look at a typical task in the simple.cmds file.
Code Block | ||||
---|---|---|---|---|
| ||||
sleep 5; echo "Command 3 `date`" > cmd3.log 2>&1 |
The echo command is like a print statement in the bash shell. Echo echo takes its arguments and writes them to one line of standard output. While not always required, it is a good idea to put echo's output string in double quotes.
...
So what is this funny looking `date` bit doing? Well, date is just another Linux command (try just typing it in) that just displays the current date and time. Here we don't want the shell to put the string "date" in the output, we want it to execute the date command and put the result text into the output. The backquotes ( ` ` also called backticks) around the date command tell the shell we want that command executed and its standard output substituted into the string. (Read more about Quoting in the shell.)
Code Block | ||||
---|---|---|---|---|
| ||||
# These are equivalent: date echo `date` # But different from this: echo date |
output redirection
There's still more to learn from one of our simple tasks, something called output redirection:still more to learn from one of our simple tasks, something called output redirection.
Every command and Unix program has three "built-in" streams: standard input, standard output and standard error, each with a name, a number, and a redirection syntax.
Normally echo writes its string to standard output, but it could encounter an error and write an error message to standard error. We want both standard output and standard error for each task stored in a log file named for the command number.
Code Block | ||||
---|---|---|---|---|
| ||||
sleep 5; echo "Command 3 `date`" > cmd3.log 2>&1 |
Normally echo writes its string to standard output. If you invoke echo in an interactive shell like Terminal, standard output is displayed to the Terminal window.
log 2>&1 |
So in the above example the first '>' says to redirect the standard output of the echo command to the cmd3.log file. The '2>&1' part says to redirect standard error to the same place. Technically, it says to redirect standard error (built-in Linux stream 2) to the same place as standard output (built-in Linux stream 1); and since standard output is going to cmd3.log, any standard error will go there also. (Read more about Standard streams and redirection)
When the TACC batch system runs a job, all All outputs generated by tasks in your the batch job are directed to one output and error file per job. Here they have names like simple.e2916562e924965 and simple.o2916562; o924965. simple.o2916562o924965 contains all all standard output and simple.o2916562o924965 contains all standard error generated by your tasks that was not redirected elsewhere, as well as information relating to running your job and its tasks. For large jobs with complex tasks, it is not easy to troubleshoot execution problems using these files.
So we usually we want a best practice is to separate the outputs of all our tasks into individual log files, one per tasktask, as we do here. Why is this important? Suppose we run a job with 100 commands, each one a whole pipeline (alignment, for example). 88 finish fine but 12 do not. Just try figuring out which ones had the errors, and where the errors occurred, if all the standard output is in one intermingled file and all standard error in the other intermingled file!So in the above example the first '>' says to redirect the standard output of the echo command to the cmd3.log file. The '2>&1' part says to redirect standard error to the same place. Technically, it says to redirect standard error (built-in Linux stream 2) to the same place as standard output (built-in Linux stream 1); and since standard output is going to cmd3.log, any standard error will go there also. (Read more about Standard I/O streams.) in the other intermingled file!
Job parameters
Now that we've executed a really simple job, let's take a look at some important job submission parameters. These correspond to arguments to the launcher_creator.py script.
A bit of background. Historically, TACC was set up to cater to researchers writing their own C or Fortran codes highly optimized to exploit parallelism (the HPC crowd). Much of TACC's documentation is aimed at this audience, which makes it difficult to pick out the important parts for us.
...
The launcher module knows how to interpret various job parameters in the <job_name>.slurm batch SLURM submission script and use them to create your job and assign its tasks to compute nodes. Our launcher_creator.py program is a simple Python script that lets you specify job parameters and writes out a valid <job_name>.slurm submission script.
...
Code Block | ||
---|---|---|
| ||
usage: launcher_creator.py [-h] -n NAME -t TIME_REQUEST [-j JOB_FILE] [-b SHELL_COMMANDS] [-B SHELL_COMMANDS_FILE] [-q QUEUE] [-a [ALLOCATION]] [-m MODULES] [-M MODULES_FILE] [-w WAYNESS] [-N NUM_NODES] [-e [EMAIL]] [-l LAUNCHER] [-s] Create launchers for TACC clusters. Report problems to rt- other@ccbb.utexas.edu optional arguments: -h, --help show this help message and exit Required: -n NAME, --name NAME The name of your job. -t TIME_REQUEST, --time TIME_REQUEST The time you want to give to your job. Format: hh:mm:ss Commands: You must use at least one of these options to submit your commands for TACC. -j JOB_FILE, --jobs JOB_FILE The name of the job file containing your commands. -b SHELL_COMMANDS, --bash SHELL_COMMANDS A string of shell (Bash, zsh, etc) commands that are executed before any parametric jobs are launched. -B SHELL_COMMANDS_FILE, --bash_file SHELL_COMMANDS_FILE A file containing shell (Bash, zsh, etc) commands that are executed before any parametric jobs are launched. Optional: -q QUEUE, --queue QUEUE The TACC allocation for job submission. Default="development" -a [ALLOCATION], -A [ALLOCATION], --allocation [ALLOCATION] The TACC allocation for job submission. You can set a default ALLOCATION environment variable. -m MODULES, --modules MODULES A list of module commands. The "launcher" module is always automatically included. Example: -m "module swap intel gcc; module load bedtools" -M MODULES_FILE, --modules_file MODULES_FILE A file containing module commands. -w WAYNESS, --wayness WAYNESS Wayness: the number of commands you want to give each node. The default is the number of cores per node. -N NUM_NODES, --num_nodes NUM_NODES Number of nodes to request. You probably don't need this option. Use wayness instead. You ONLY need it if you want to run a job list that isn't defined at the time you submit the launcher. -e [EMAIL], --email [EMAIL] Your email address if you want to receive an email from Lonestar when your job starts and ends. Without an argument, it will use a default EMAIL_ADDRESS environment variable. -l LAUNCHER, --launcher_name LAUNCHER The name of the launcher script that will be created. Default="<name>.slurm" -s Echoes the launcher filename to stdout. |
...
Code Block | ||||
---|---|---|---|---|
| ||||
launcher_creator.py -j simple.cmds -n simple -t 00:01:00 -a OTH21164 -q normaldevelopment |
- The name of your commands file is given with the -j simple.cmds argument option.
- Your desired job name is given with the -n <job_name> argument simple option.
- The <job_name> (here simple) is the job name you will see in your queue.
- By default a corresponding <job_name>.slurm batch file is created for you.
- It contains the name of the commands file that the batch system will execute.
...
queue name | maximum runtime | purpose | |||
---|---|---|---|---|---|
development | 2 hrs | development/testing and short jobs (typically has short queue wait times) | |||
normal | 48 hrs | normal jobs (queue waits are often long) | long | 48 hrs | long running jobs (queue waits can be very long) |
- In launcher_creator.py, the queue is specified by the -q argument.
- The default queue is development. Specify -q normal for normal queue jobs.
- The maximum runtime you are requesting for your job is specified by the -t argument.
- Format is hh:mm:ss
- Note that your job will be terminated without warning at the end of its time limit!
...
You may be a member of a number of different projects, hence have a choice which resource allocation to run your job under.
- You specify that allocation name with the -a argument of launcher_creator.py.
- If you have set an $ALLOCATION environment variable to an allocation name, it that allocation will be used if you are a member of only one TACC project.
Expand | |||||||
---|---|---|---|---|---|---|---|
| |||||||
The .bashrc login script you've installed for this course specifies the class's allocation as shown below. Note that this allocation will expire after the course, so you should change that setting appropriately at some point.
|
- When you run a batch job, your project allocation gets "charged" for the time your job runs, in the currency of SUs (System Units).
- SUs are related in some way to node hours, usually 1 SU /= 1 node hour.
Tip | ||
---|---|---|
| ||
Jobs should consist of tasks that will run for approximately the same length of time. This is because the total node hours for your job is calculated as the run time for your longest running task (the one that finishes last). For example, if you specify 64 100 commands and 99 finish in 2 seconds but one runs for 24 hours, you'll be charged for 64 100 x 24 node hours even though the total amount of work performed was only ~24 hours. |
...
One of the most confusing things in job submission is the parameter called wayness, which controls how many tasks are run on each computer compute node.
- Recall that there are 68 128 physical cores and 96 256 GB of memory on each compute node
- so technically theoretically you can could run up to 68 128 commands on a node, each with ~1.4 ~2 GB available memory
- you usually run fewer tasks on a node, and when you do, each task gets more resources
...
Code Block | ||||
---|---|---|---|---|
| ||||
# If $CORENGS is not defined: export CORENGS=/work/projects/BioITeam/projects/courses/Core_NGS_Tools cds mkdir -p core_ngs/slurm/wayness cd core_ngs/slurm/wayness cp ~/CoreNGS$CORENGS/tacc/wayness.cmds . |
Exercise: How many tasks are specified in the wayness.cmds file?
...
Expand | |||||||
---|---|---|---|---|---|---|---|
| |||||||
Find the number of lines in the wayness.cmds commands file using the wc (word count) command with the -l (lines) option:
The file has 16 lines, representing 16 tasks. |
...
Code Block | ||||
---|---|---|---|---|
| ||||
launcher_creator.py -j wayness.cmds -n wayness -w 4 -t 00:02:00 -a OTH21164 -q normaldevelopment sbatch --reservation=BIO_DATA_week_1 wayness.slurm showq -u |
Exercise: With 17 16 tasks requested and wayness of 4, how many nodes will this job require? How much memory will be available for each task?
...
Exercise: If you specified a wayness of 2, how many nodes would this job require? How much memory could each task use?
Expand | ||
---|---|---|
| ||
2 8 nodes (16 tasks x 1 node/2 tasks) |
...
Code Block | ||
---|---|---|
| ||
cat cmd*log # or, for a listing ordered by node name (the 11th field) cat cmd*log | sort -k 11,11 |
The vertical bar ( | ) above is the pipe operator, which connects one program's standard output to the next program's standard input.
(Read more about the sort command at Linux fundamentals: cut, sort, uniq, and more about Piping)
You should see something like output below.
Code Block | ||
---|---|---|
| ||
Command 1 of 16 (4 per node) ran on node c302c303-005.ls6.tacc.utexas.edu core 0 Command 10 of 16 (4 per node) ran on node c305c304-005.ls6.tacc.utexas.edu core 9 Command 11 of 16 (4 per node) ran on node c305c304-005.ls6.tacc.utexas.edu core 10 Command 12 of 16 (4 per node) ran on node c305c304-005.ls6.tacc.utexas.edu core 11 Command 13 of 16 (4 per node) ran on node c305c304-006.ls6.tacc.utexas.edu core 12 Command 14 of 16 (4 per node) ran on node c305c304-006.ls6.tacc.utexas.edu core 13 Command 15 of 16 (4 per node) ran on node c305c304-006.ls6.tacc.utexas.edu core 14 Command 16 of 16 (4 per node) ran on node c305c304-006.ls6.tacc.utexas.edu core 15 Command 2 of 16 (4 per node) ran on node c302c303-005.ls6.tacc.utexas.edu core 1 Command 3 of 16 (4 per node) ran on node c302c303-005.ls6.tacc.utexas.edu core 2 Command 4 of 16 (4 per node) ran on node c302c303-005.ls6.tacc.utexas.edu core 3 Command 5 of 16 (4 per node) ran on node c302c303-006.ls6.tacc.utexas.edu core 4 Command 6 of 16 (4 per node) ran on node c302c303-006.ls6.tacc.utexas.edu core 5 Command 7 of 16 (4 per node) ran on node c302c303-006.ls6.tacc.utexas.edu core 6 Command 8 of 16 (4 per node) ran on node c302c303-006.ls6.tacc.utexas.edu core 7 Command 9 of 16 (4 per node) ran on node c305c304-005.ls6.tacc.utexas.edu core 8 |
Notice that there are 4 different host names. This expression:
Code Block | ||
---|---|---|
| ||
cat cmd*log | awk '{print $11}' | sort | uniq -c |
should produce output something like this (read more about piping commands to make a histogram)
Code Block | ||
---|---|---|
| ||
4 c302-005.ls6.tacc.utexas.edu 4 c302-006.ls6.tacc.utexas.edu 4 c305-005.ls6.tacc.utexas.edu 4 c305-006.ls6.tacc.utexas.edu |
...
We've already touched on the need to redirect standard output and standard error for each task. Just remember that funny redirection syntax:
Code Block | ||||
---|---|---|---|---|
| ||||
my_program input_file1 output_file1 > file1.log 2>&1 |
...
For example, you might have a script called align_bwa.sh (a bash script) or align_bowtie2.py (written in python Python) that performs multiple steps needed during the alignment process:
...
The BioITeam maintains a set of such scripts in the /work/projects/BioITeam/common/script directory. Take a look at some of them after you feel more comfortable with initial NGS processing steps. They can be executed by anyone with a TACC account.
...
Code Block | ||||
---|---|---|---|---|
| ||||
# navigate through the symbolic link in your Home directory cd ~scratch/core_ngs/slurm/simple ls ../wayness ls ../.. ls -l ~/.bashrc |
(Read more about Absolute and relative pathname syntax)
Interactive sessions (idev)
...
Code Block | ||||
---|---|---|---|---|
| ||||
idev -m 2060 -AN OTH211641 -NA 1OTH21164 -p normal --reservation=BIO_DATA_week_1r CoreNGS-Tue |
Notes:
- -p normal requests nodes on the normal queue
- this is the default for our reservation, while the development queue is the normal default
- -m 20 asks for a 20-minute session (120 minutes is the maximum for development) 60 asks for a 60 minute session
- -A OTH21164 -A UT-2015-05-18 specifies the TACC allocation/project to use
- -N 1 asks for 1 node
- --reservation=BIO_DATA_week_1CoreNGS-Tue gives us priority access to TACC nodes for the class. You normally won't use this argumentoption.
When you ask for an idev session, you'll see output as shown below. Note that the process may pause at repeat the "Sleeping for 7 seconds" job status: PD" (pending) step while it waits for an available node.
Code Block |
---|
-> Checking on the status of development queue. OK -> Defaults file : ~/.idevrc -> System : ls6 -> Queue : normal development (cmd line: -p ) -> Nodes : 1 (cmd line: -N ) -> Tasks per Node : 128 (Queue default ) -> Time (minutes) : 2060 (cmd line: -m ) -> Project : OTH21164 (cmd line: -A ) ----------------------------------------------------------------- Welcome to the Lonestar6 Supercomputer ----------------------------------------------------------------- --> Verifying valid submit host (login1)...OK --> Verifying valid jobname...OK --> Verifying valid ssh keys...OK --> Verifying access to desired queue (development)...OK --> Checking available allocation (OTH21164)...OK Submitted batch job 232585235465 -> After your idev job begins to run, a command prompt will appear, -> and you can begin your interactive development session. -> We will report the job status every 4 seconds: (PD=pending, R=running). -> job status: PD -> job status: R -> Job is now running on masternode= c303c302-006005...OK -> Sleeping for 7 seconds...OK -> Sleeping for 7 seconds...OK -> Sleeping for 7 seconds...OK -> Checking to make sure your job has initialized an env for you....OK -> Creating interactive terminal session (login) on master node c303c302-006005. -> ssh -Y -o "StrictHostKeyChecking no" c303c302-006005 |
Once the idev session has started, it looks quite similar to a login node environment, except for these differences:
- the hostname command on a login node will return a login server name like login3.ls6.tacc.utexas.edu
- while in an idev session hostname returns a compute node name like c303-006.ls6.tacc.utexas.edu
- you cannot submit a batch job from inside an idev session, only from a login node
- your idev session will end when the requested time has expired
- or you can just type exit to return to a login node session
...