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Getting an HPC Account | ||
Getting ready to request an account | ||
All users of AUGent can request | ||
an | ||
account on the HPC, which is part of the Flemish Supercomputing Centre (VSC). | ||
See HPC policies for more information on who is entitled to an account. | ||
The VSC, abbreviation of Flemish Supercomputer Centre, is a virtual | ||
supercomputer centre. It is a partnership between the five Flemish | ||
associations: the Association KU Leuven, Ghent University Association, | ||
Brussels University Association, Antwerp University Association and the | ||
University Colleges-Limburg. The VSC is funded by the Flemish | ||
Government. | ||
There are two methods for connecting to HPC-UGent infrastructure: | ||
- Using a terminal to connect via SSH. | ||
- Using the web portal |
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After you have uploaded your public key you will receive an e-mail with | ||
a link to confirm your e-mail address. After confirming your e-mail | ||
address the VSC staff will review and if applicable approve your | ||
account. | ||
Welcome e-mail | ||
Within one day, you should receive a Welcome e-mail with your VSC | ||
account details. | ||
Dear (Username), | ||
Your VSC-account has been approved by an administrator. | ||
Your vsc-username is vsc40000 | ||
Your account should be fully active within one hour. | ||
To check or update your account information please visit | ||
https://account.vscentrum.be/ | ||
For further info please visit https://www.vscentrum.be/user-portal | ||
Kind regards, | ||
-- The VSC administrators | ||
Now, you can start using the HPC. You can always look up your VSC id later | ||
by visiting <https://account.vscentrum.be>. |
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{ | ||
"main_title": "account", | ||
"subtitle": "Welcome-e-mail", | ||
"source_file": "../../mkdocs/docs/HPC/account.md", | ||
"title_depth": 3, | ||
"directory": "account", | ||
"parent_title": "", | ||
"previous_title": "account_paragraph_9", | ||
"next_title": "account_paragraph_11", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/account/#welcome-e-mail" | ||
} |
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Computation Workflow on the HPC | ||
A typical Computation workflow will be: | ||
1. Connect to the HPC | ||
2. Transfer your files to the HPC | ||
3. Compile your code and test it | ||
4. Create a job script | ||
5. Submit your job | ||
6. Wait while | ||
1. your job gets into the queue | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. what is this supposed to mean? |
||
2. your job gets executed | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more.
|
||
3. your job finishes | ||
7. Move your results | ||
We'll take you through the different tasks one by one in the following | ||
chapters. |
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{ | ||
"main_title": "account", | ||
"subtitle": "Computation-Workflow-on-the-HPC", | ||
"source_file": "../../mkdocs/docs/HPC/account.md", | ||
"title_depth": 2, | ||
"directory": "account", | ||
"parent_title": "", | ||
"previous_title": "account_paragraph_11", | ||
"next_title": null, | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/account/#computation-workflow-on-the-hpc" | ||
} |
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{ | ||
"main_title": "account", | ||
"subtitle": "Getting-ready-to-request-an-account", | ||
"source_file": "../../mkdocs/docs/HPC/account.md", | ||
"title_depth": 2, | ||
"directory": "account", | ||
"links": { | ||
"0": "https://docs.hpc.ugent.be/sites/hpc_policies", | ||
"1": "https://docs.hpc.ugent.be/web_portal" | ||
}, | ||
"parent_title": "", | ||
"previous_title": null, | ||
"next_title": "account_paragraph_2", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/account/#getting-ready-to-request-an-account" | ||
} |
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The web portal offers a convenient way to upload files and gain shell access to the HPC-UGent infrastructure from a standard web browser (no software installation or configuration required). | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. this is also a bit of a mess, but the source doesn't help. |
||
If you would like use a terminal with SSH as this gives you more flexibility continue reading. | ||
However if you prefer to use the web portal, you can skip ahead to the following section: Applying for the account. | ||
Once you have successfully obtained an account, you can then delve into the details of utilizing the HPC-UGent web portal by reading Using the HPC-UGent web portal. | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. is it possible to provide some auto mated way to convert the reference to the section with something more clear: eg |
||
The HPC-UGent infrastructure clusters use public/private key pairs for user authentication | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. content wise: this is only for ssh access |
||
(rather than passwords). Technically, the private key is stored on your | ||
local computer and always stays there; the public key is stored on the HPC. | ||
Access to the HPC is granted to anyone who can prove to have access to the | ||
corresponding private key on his local computer. |
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{ | ||
"main_title": "account", | ||
"subtitle": "Getting-ready-to-request-an-account", | ||
"source_file": "../../mkdocs/docs/HPC/account.md", | ||
"title_depth": 2, | ||
"directory": "account", | ||
"links": { | ||
"0": "https://docs.hpc.ugent.be/account/#applying-for-the-account", | ||
"1": "https://docs.hpc.ugent.be/web_portal" | ||
}, | ||
"parent_title": "", | ||
"previous_title": "account_paragraph_1", | ||
"next_title": "account_paragraph_3", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/account/#getting-ready-to-request-an-account" | ||
} |
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How do SSH keys work? | ||
- an SSH public/private key pair can be seen as a lock and a key | ||
- the SSH public key is equivalent with a lock: you give it to the | ||
VSC and they put it on the door that gives access to your account. | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more.
|
||
- the SSH private key is like a physical key: you don't hand it out | ||
to other people. | ||
- anyone who has the key (and the optional password) can unlock the | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. ah yes, make it more confsing by throwing in a previously unmentioned password |
||
door and log in to the account. | ||
- the door to your VSC account is special: it can have multiple | ||
locks (SSH public keys) attached to it, and you only need to open | ||
one lock with the corresponding key (SSH private key) to open | ||
the door (log in to the account). | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. i would add a pargrpah to explain what an optional but recommend password means. it's like a safe at home where you keep the key to open the door from work |
||
Since all VSC clusters use Linux as their main operating system, you | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. has nothing to do with ssh keys |
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will need to get acquainted with using the command-line interface and | ||
using the terminal (see tutorial). |
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{ | ||
"main_title": "account", | ||
"subtitle": "How-do-SSH-keys-work", | ||
"source_file": "../../mkdocs/docs/HPC/account.md", | ||
"title_depth": 3, | ||
"directory": "account", | ||
"links": { | ||
"0": "https://docs.hpc.ugent.be/linux-tutorial" | ||
}, | ||
"parent_title": "", | ||
"previous_title": "account_paragraph_2", | ||
"next_title": "account_paragraph_4", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/account/#how-do-ssh-keys-work" | ||
} |
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Applying for the account | ||
Visit <https://account.vscentrum.be/> | ||
You will be redirected to our WAYF (Where Are You From) service where | ||
you have to select your "Home Organisation". | ||
Select "UGent" in the dropdown box and optionally select "Save my preference" | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. remove the There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. also new screenshot |
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and "permanently". | ||
Click "Confirm" | ||
You will now be taken to the authentication page of your institute. | ||
You will now have to log in with CAS using your UGent account. | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more.
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more.
|
||
You either have a login name of maximum 8 characters, or a (non-UGent) | ||
email address if you are an external user. In case of problems with your | ||
UGent password, please visit: <https://password.ugent.be/>. After | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. @EwDa291 remove the |
||
logging in, you may be requested to share your information. Click "Yes, | ||
continue". |
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{ | ||
"main_title": "account", | ||
"subtitle": "Applying-for-the-account", | ||
"source_file": "../../mkdocs/docs/HPC/account.md", | ||
"title_depth": 2, | ||
"directory": "account", | ||
"parent_title": "", | ||
"previous_title": "account_paragraph_7", | ||
"next_title": "account_paragraph_9", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/account/#applying-for-the-account" | ||
} |
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Compiling and testing your software on the HPC | ||
All nodes in the HPC cluster are running the "RHEL 8.8 (accelgor, doduo, donphan, gallade, joltik, skitty)" | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. what happened with the double quotes?, not needed to include the clusters i think |
||
Operating system, which is a specific version of Red Hat Enterprise Linux. This means that all the | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. no capital O i guess (or add one to System)? |
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software programs | ||
(executable) that the end-user wants to run on the HPC first must be | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. executable |
||
compiled for RHEL 8.8 (accelgor, doduo, donphan, gallade, joltik, skitty). It also means that you first have to install all the | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. is there a macro for rhel without the clusters? or have value |
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required external software packages on the HPC. | ||
Most commonly used compilers are already pre-installed on the HPC and can be | ||
used straight away. Also, many popular external software packages, which | ||
are regularly used in the scientific community, are also pre-installed. |
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The "mpi_hello.c" program is a simple source file, written in C with MPI | ||
library calls. | ||
Then, check the command line options for *"mpicc" (GNU C-Compiler with | ||
MPI extensions)*, then we compile and list the contents of the directory | ||
again: | ||
mpicc --help | ||
mpicc -o mpihello mpihello.c | ||
ls -l | ||
A new file "hello" has been created. Note that this program has | ||
"execute" rights. | ||
Let's test this program on the "login" node first: | ||
$ ./mpihello | ||
Hello World from Node 0. | ||
It seems to work, now run it on the HPC. | ||
qsub mpihello.pbs | ||
Compiling a parallel program in Intel Parallel Studio Cluster Edition | ||
We will now compile the same program, but using the Intel Parallel | ||
Studio Cluster Edition compilers. We stay in the examples directory for | ||
this chapter: |
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{ | ||
"main_title": "compiling_your_software", | ||
"subtitle": "Compiling-a-parallel-program-in-Intel-Parallel-Studio-Cluster-Edition", | ||
"title_depth": 3, | ||
"directory": "compiling_your_software", | ||
"parent_title": "", | ||
"previous_title": "compiling_your_software_paragraph_9", | ||
"next_title": "compiling_your_software_paragraph_11", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/compiling_your_software/#compiling-a-parallel-program-in-intel-parallel-studio-cluster-edition" | ||
} |
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cd ~/examples/Compiling-and-testing-your-software-on-the-HPC | ||
We will compile this C/MPI -file into an executable with the Intel | ||
Parallel Studio Cluster Edition. First, clear the modules (purge) and | ||
then load the latest "intel" module: | ||
module purge | ||
module load intel | ||
Then, compile and list the contents of the directory again. The Intel | ||
equivalent of mpicc is mpiicc. | ||
mpiicc -o mpihello mpihello.c | ||
ls -l | ||
Note that the old "mpihello" file has been overwritten. Let's test this | ||
program on the "login" node first: | ||
$ ./mpihello | ||
Hello World from Node 0. | ||
It seems to work, now run it on the HPC. | ||
qsub mpihello.pbs | ||
Note: The AUGent only has a license for the Intel Parallel Studio Cluster | ||
Edition for a fixed number of users. As such, it might happen that you | ||
have to wait a few minutes before a floating license becomes available | ||
for your use. |
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{ | ||
"main_title": "compiling_your_software", | ||
"subtitle": "Compiling-a-parallel-program-in-Intel-Parallel-Studio-Cluster-Edition", | ||
"title_depth": 3, | ||
"directory": "compiling_your_software", | ||
"parent_title": "", | ||
"previous_title": "compiling_your_software_paragraph_10", | ||
"next_title": "compiling_your_software_paragraph_12", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/compiling_your_software/#compiling-a-parallel-program-in-intel-parallel-studio-cluster-edition" | ||
} |
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Note: The Intel Parallel Studio Cluster Edition contains equivalent | ||
compilers for all GNU compilers. Hereafter the overview for C, C++ and | ||
Fortran compilers. | ||
| | Sequential Program | | **Parallel Program (with MPI)** | | | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. this table needs some explanation if you want to keep it around |
||
|-------------|------------------------|-----------|---------------------------------|-----------| | ||
| | GNU | Intel | GNU | Intel | | ||
| C | gcc | icc | mpicc | mpiicc | | ||
| **C++** | g++ | icpc | mpicxx | mpiicpc | | ||
| Fortran | gfortran | ifort | mpif90 | mpiifort | |
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{ | ||
"main_title": "compiling_your_software", | ||
"subtitle": "Compiling-a-parallel-program-in-Intel-Parallel-Studio-Cluster-Edition", | ||
"title_depth": 3, | ||
"directory": "compiling_your_software", | ||
"parent_title": "", | ||
"previous_title": "compiling_your_software_paragraph_11", | ||
"next_title": null, | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/compiling_your_software/#compiling-a-parallel-program-in-intel-parallel-studio-cluster-edition" | ||
} |
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{ | ||
"main_title": "compiling_your_software", | ||
"subtitle": "Compiling-and-testing-your-software-on-the-HPC", | ||
"title_depth": 1, | ||
"directory": "compiling_your_software", | ||
"parent_title": "", | ||
"previous_title": null, | ||
"next_title": "compiling_your_software_paragraph_2", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/compiling_your_software/#compiling-and-testing-your-software-on-the-hpc" | ||
} |
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Check the pre-installed software on the HPC | ||
In order to check all the available modules and their version numbers, | ||
which are pre-installed on the HPC enter: | ||
When your required application is not available on the HPC please contact | ||
any HPC member. Be aware of potential "License Costs". "Open Source" | ||
software is often preferred. | ||
Porting your code | ||
To port a software-program is to translate it from the operating system in | ||
which it was developed (e.g., Windows 7) to another operating system | ||
(e.g., Red Hat Enterprise Linux on our HPC) so that it can be used there. Porting implies some | ||
degree of effort, but not nearly as much as redeveloping the program in | ||
the new environment. It all depends on how "portable" you wrote your | ||
code. |
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{ | ||
"main_title": "compiling_your_software", | ||
"subtitle": "Porting-your-code", | ||
"title_depth": 2, | ||
"directory": "compiling_your_software", | ||
"parent_title": "", | ||
"previous_title": "compiling_your_software_paragraph_1", | ||
"next_title": "compiling_your_software_paragraph_3", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/compiling_your_software/#porting-your-code" | ||
} |
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In the simplest case the file or files may simply be copied from one | ||
machine to the other. However, in many cases the software is installed | ||
on a computer in a way, which depends upon its detailed hardware, | ||
software, and setup, with device drivers for particular devices, using | ||
installed operating system and supporting software components, and using | ||
different directories. | ||
In some cases software, usually described as "portable software" is | ||
specifically designed to run on different computers with compatible | ||
operating systems and processors without any machine-dependent | ||
installation; it is sufficient to transfer specified directories and | ||
their contents. Hardware- and software-specific information is often | ||
stored in configuration files in specified locations (e.g., the registry | ||
on machines running MS Windows). |
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{ | ||
"main_title": "compiling_your_software", | ||
"subtitle": "Porting-your-code", | ||
"title_depth": 2, | ||
"directory": "compiling_your_software", | ||
"parent_title": "", | ||
"previous_title": "compiling_your_software_paragraph_2", | ||
"next_title": "compiling_your_software_paragraph_4", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/compiling_your_software/#porting-your-code" | ||
} |
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Software, which is not portable in this sense, will have to be | ||
transferred with modifications to support the environment on the | ||
destination machine. | ||
Whilst programming, it would be wise to stick to certain standards | ||
(e.g., ISO/ANSI/POSIX). This will ease the porting of your code to other | ||
platforms. | ||
Porting your code to the RHEL 8.8 (accelgor, doduo, donphan, gallade, joltik, skitty) platform is the responsibility of the end-user. | ||
Compiling and building on the HPC | ||
Compiling refers to the process of translating code written in some | ||
programming language, e.g., Fortran, C, or C++, to machine code. | ||
Building is similar, but includes gluing together the machine code | ||
resulting from different source files into an executable (or library). | ||
The text below guides you through some basic problems typical for small | ||
software projects. For larger projects it is more appropriate to use | ||
makefiles or even an advanced build system like CMake. |
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{ | ||
"main_title": "compiling_your_software", | ||
"subtitle": "Compiling-and-building-on-the-HPC", | ||
"title_depth": 2, | ||
"directory": "compiling_your_software", | ||
"parent_title": "", | ||
"previous_title": "compiling_your_software_paragraph_3", | ||
"next_title": "compiling_your_software_paragraph_5", | ||
"OS": "generic", | ||
"reference_link": "https://docs.hpc.ugent.be/compiling_your_software/#compiling-and-building-on-the-hpc" | ||
} |
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ok, to make sense of this text: i propose to insert a title here (like the
How do SSH keys work?
) calledWeb portal or SSH
. tenenkrullend