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{{DISPLAYTITLE:Magus02 — HPC Cluster}}
__TOC__

<div style="background:linear-gradient(135deg,#0d1b2a 0%,#1a2a3f 100%);border:1px solid #2a4a6b;border-radius:10px;padding:28px 32px;margin-bottom:28px;">
<div style="font-family:monospace;font-size:11px;color:#5ba3d9;letter-spacing:2px;text-transform:uppercase;margin-bottom:10px;">Shiv Nadar Institution of Eminence — HPC Infrastructure</div>
<div style="font-size:36px;font-weight:900;color:#ffffff;letter-spacing:-1px;margin-bottom:10px;">Magus02</div>
<div style="font-size:15px;color:#94a8be;max-width:620px;line-height:1.7;margin-bottom:20px;">The primary High Performance Computing cluster at SNU, providing researchers and students with parallel compute resources for scientific simulation, deep learning, computational chemistry, and data-intensive workflows.</div>

{| style="border-collapse:separate;border-spacing:16px 0;"
|-
| style="background:#162131;border:1px solid #2a4060;border-radius:8px;padding:14px 20px;text-align:center;" |
<div style="font-size:26px;font-weight:900;color:#00c9ff;">9064</div>
<div style="font-size:10px;font-family:monospace;color:#5a7a9a;text-transform:uppercase;letter-spacing:1px;">Total Cores</div>
| style="background:#162131;border:1px solid #2a4060;border-radius:8px;padding:14px 20px;text-align:center;" |
<div style="font-size:26px;font-weight:900;color:#00c9ff;">238 TFlops</div>
<div style="font-size:10px;font-family:monospace;color:#5a7a9a;text-transform:uppercase;letter-spacing:1px;">Peak Performance</div>
| style="background:#162131;border:1px solid #2a4060;border-radius:8px;padding:14px 20px;text-align:center;" |
<div style="font-size:26px;font-weight:900;color:#00c9ff;">57</div>
<div style="font-size:10px;font-family:monospace;color:#5a7a9a;text-transform:uppercase;letter-spacing:1px;">Compute Nodes</div>
| style="background:#162131;border:1px solid #2a4060;border-radius:8px;padding:14px 20px;text-align:center;" |
<div style="font-size:26px;font-weight:900;color:#00c9ff;">750 TB</div>
<div style="font-size:10px;font-family:monospace;color:#5a7a9a;text-transform:uppercase;letter-spacing:1px;">Storage</div>
|}
</div>

== What is HPC? ==

High Performance Computing (HPC) is the ability to process data and perform complex calculations at high speeds. To put it in perspective: a laptop or desktop with a 3 GHz processor can perform around 3 billion calculations per second. HPC solutions can perform '''quadrillions of calculations per second''' — far exceeding anything achievable on a standard workstation.

HPC is specifically needed for the following reasons:

* It paves the way for '''new innovations''' in science, technology, business, and academia.
* It '''improves processing speeds''', which can be critical for computing operations, applications, and workloads.
* It helps lay the foundation for a '''reliable, fast IT infrastructure''' that can store, process, and analyse massive amounts of data for various applications.

=== Quick Specifications ===

{| class="wikitable" style="width:100%;text-align:center;"
|-
! style="background:#0d1b2a;color:#00c9ff;font-family:monospace;font-size:11px;letter-spacing:1px;" | TOTAL CORES (AMD)
! style="background:#0d1b2a;color:#00c9ff;font-family:monospace;font-size:11px;letter-spacing:1px;" | PEAK PERFORMANCE
! style="background:#0d1b2a;color:#00c9ff;font-family:monospace;font-size:11px;letter-spacing:1px;" | COMPUTE NODES
! style="background:#0d1b2a;color:#00c9ff;font-family:monospace;font-size:11px;letter-spacing:1px;" | LOGIN NODES
! style="background:#0d1b2a;color:#00c9ff;font-family:monospace;font-size:11px;letter-spacing:1px;" | MASTER NODES
! style="background:#0d1b2a;color:#00c9ff;font-family:monospace;font-size:11px;letter-spacing:1px;" | HIGH MEM NODES (SSD)
|-
| '''9064''' || '''238 TFlops''' || '''57''' || '''2''' || '''2''' || '''12'''
|}

<div style="background:#0d2a1a;border-left:4px solid #39d353;border-radius:6px;padding:14px 18px;margin:16px 0;font-size:14px;color:#c0d8c8;">
💡 <strong>Memory per Core:</strong> Compute Nodes → <strong>4 GB/core</strong> (total ~29,184 GB)  |  High Memory Nodes → <strong>16 GB/core</strong> (total ~12,288 GB). Use the <code>high_mem</code> queue for memory-bound applications such as Gaussian.
</div>

== Compute Specification ==

{| class="wikitable sortable" style="width:100%;"
|-
! style="background:#0d1b2a;color:#94a8be;" | Node Type
! style="background:#0d1b2a;color:#94a8be;" | Processor
! style="background:#0d1b2a;color:#94a8be;" | RAM
! style="background:#0d1b2a;color:#94a8be;" | Cores
! style="background:#0d1b2a;color:#94a8be;" | GPU
! style="background:#0d1b2a;color:#94a8be;" | No. of Nodes
! style="background:#0d1b2a;color:#94a8be;" | Total RAM
! style="background:#0d1b2a;color:#94a8be;" | Total Cores
|-
| <span style="background:#0d2535;color:#00c9ff;font-family:monospace;font-size:12px;padding:3px 9px;border-radius:4px;border:1px solid #1a4060;">Compute Node</span>
| <code>AMD EPYC 7763</code> || 512 GB || 128 || — || '''57''' || 29,184 GB || 7,296
|-
| <span style="background:#2a2000;color:#f0c040;font-family:monospace;font-size:12px;padding:3px 9px;border-radius:4px;border:1px solid #504000;">High Memory Node</span>
| <code>AMD EPYC 7543</code> || 1024 GB || 64 || — || '''12''' || 12,288 GB || 768
|-
| <span style="background:#0d2a10;color:#39d353;font-family:monospace;font-size:12px;padding:3px 9px;border-radius:4px;border:1px solid #1a5020;">GPU Node</span>
| <code>Intel Xeon Platinum 8368</code> || 512 GB || 64 || Tesla A100 ×4 || '''2''' || 1,024 GB || 128
|-
| style="background:#1a1a1a;font-family:monospace;font-size:12px;color:#666;" | '''Totals'''
| || || || || style="color:#00c9ff;font-weight:bold;" | 71 nodes || style="color:#00c9ff;font-weight:bold;" | ~42,496 GB || style="color:#00c9ff;font-weight:bold;" | 8,192
|-
| <span style="background:#2a1010;color:#f85149;font-family:monospace;font-size:12px;padding:3px 9px;border-radius:4px;border:1px solid #502020;">Storage</span>
| colspan="7" | <code>750 TB</code> — Parallel Filesystem
|}

<div style="background:#2a1a00;border-left:4px solid #f0c040;border-radius:6px;padding:14px 18px;margin:16px 0;font-size:14px;color:#d4b870;">
⚠️ <strong>High Memory Nodes</strong> are intended for applications that require large in-memory datasets but do not scale well across nodes (e.g., <em>Gaussian</em>). Submit to the <code>high_mem</code> queue and use <code>#SBATCH --mem</code> to request appropriate memory.
</div>

== How to Connect to Magus02 ==

Magus02 supports SSH-based access. Three connection methods are available:

{| style="width:100%;border-collapse:separate;border-spacing:12px 0;"
|-
| style="width:33%;background:#0d1b2a;border:1px solid #1e3a5a;border-radius:10px;padding:20px;vertical-align:top;" |
<div style="font-size:22px;margin-bottom:10px;">🌐</div>
<div style="font-weight:700;font-size:15px;margin-bottom:8px;color:#e6edf3;">Web Browser</div>
<div style="font-size:13px;color:#7a94aa;margin-bottom:12px;">Visit the login portal directly from any browser on the SNU network.</div>
<div style="background:#060e18;border:1px solid #1a3050;border-radius:5px;padding:8px 12px;font-family:monospace;font-size:12px;color:#79c0ff;">magus02.snu.edu.in</div>
| style="width:33%;background:#0d1b2a;border:1px solid #1e3a5a;border-radius:10px;padding:20px;vertical-align:top;" |
<div style="font-size:22px;margin-bottom:10px;">🐧</div>
<div style="font-weight:700;font-size:15px;margin-bottom:8px;color:#e6edf3;">Linux / macOS</div>
<div style="font-size:13px;color:#7a94aa;margin-bottom:12px;">Use the built-in SSH client from your terminal. Default port is 22.</div>
<div style="background:#060e18;border:1px solid #1a3050;border-radius:5px;padding:8px 12px;font-family:monospace;font-size:12px;color:#79c0ff;">ssh user@magus02.snu.edu.in</div>
| style="width:33%;background:#0d1b2a;border:1px solid #1e3a5a;border-radius:10px;padding:20px;vertical-align:top;" |
<div style="font-size:22px;margin-bottom:10px;">🪟</div>
<div style="font-weight:700;font-size:15px;margin-bottom:8px;color:#e6edf3;">Windows (PuTTY)</div>
<div style="font-size:13px;color:#7a94aa;margin-bottom:12px;">Download PuTTY and connect using the hostname and port below.</div>
<div style="background:#060e18;border:1px solid #1a3050;border-radius:5px;padding:8px 12px;font-family:monospace;font-size:12px;color:#79c0ff;">Host: magus02.snu.edu.in<br>Port: 22</div>
|}

<pre style="background:#0d1117;border:1px solid #21293a;border-radius:8px;padding:18px;font-family:monospace;font-size:13px;color:#e6edf3;">
# Connect from Linux / macOS terminal:
$ ssh user@magus02.snu.edu.in # default port 22

# Specify port explicitly:
$ ssh -p 22 user@magus02.snu.edu.in
</pre>

== How to Reset Password on Magus02 ==

<div style="counter-reset:steps;">

<div style="display:flex;gap:20px;padding:20px 0;border-bottom:1px solid #1e2d3d;">
<div style="min-width:40px;height:40px;background:#0d1b2a;border:1px solid #2a4060;border-radius:50%;display:flex;align-items:center;justify-content:center;font-family:monospace;font-weight:700;color:#00c9ff;font-size:13px;flex-shrink:0;text-align:center;line-height:40px;">01</div>
<div>
<div style="font-weight:700;font-size:15px;margin-bottom:6px;margin-top:8px;">Log in to your Magus02 account</div>
<div style="font-size:14px;color:#7a94aa;">Connect via SSH using your existing credentials. If you cannot log in, contact the HPC administrator to reset your account.</div>
</div>
</div>

<div style="display:flex;gap:20px;padding:20px 0;">
<div style="min-width:40px;height:40px;background:#0d1b2a;border:1px solid #2a4060;border-radius:50%;display:flex;align-items:center;justify-content:center;font-family:monospace;font-weight:700;color:#00c9ff;font-size:13px;flex-shrink:0;text-align:center;line-height:40px;">02</div>
<div>
<div style="font-weight:700;font-size:15px;margin-bottom:6px;margin-top:8px;">Run the <code>passwd</code> command</div>
<div style="font-size:14px;color:#7a94aa;">Once logged in, use the standard passwd utility. You will be prompted for your current password, then asked to enter and confirm the new one.</div>
<pre style="background:#0d1117;border:1px solid #21293a;border-radius:8px;padding:16px;font-family:monospace;font-size:13px;color:#e6edf3;margin-top:12px;">
[user@magus02 ~]$ passwd
Changing password for user user.
Current password: ••••••••
New password: ••••••••
Retype new password: ••••••••
passwd: all authentication tokens updated successfully.
</pre>
</div>
</div>

</div>

<div style="background:#0d1a2a;border-left:4px solid #00c9ff;border-radius:6px;padding:14px 18px;margin:16px 0;font-size:14px;color:#94a8be;">
🔐 <strong>Password Policy:</strong> Minimum 8 characters including uppercase, lowercase, numbers, and special characters. Shared or weak passwords are strictly prohibited.
</div>

== How to Connect to Magus from Outside SNU Network ==

<div style="background:#2a1e00;border:1px solid #5a4010;border-radius:10px;padding:22px 26px;margin:16px 0;display:flex;gap:18px;align-items:flex-start;">
<div style="font-size:30px;flex-shrink:0;">🔒</div>
<div>
<div style="font-weight:700;font-size:16px;color:#f0c040;margin-bottom:8px;">VPN Required for External Access</div>
<div style="font-size:14px;color:#c8a850;line-height:1.7;">To gain access to Magus02 from outside the SNU network, a <strong>VPN connection is mandatory</strong>. To acquire VPN access, submit a VPN Request Form or scan the QR barcode provided by the HPC administration team. Once connected, SSH works as normal.</div>
</div>
</div>

<pre style="background:#0d1117;border:1px solid #21293a;border-radius:8px;padding:18px;font-family:monospace;font-size:13px;color:#e6edf3;">
# Step 1: Connect to SNU VPN using the provided VPN client
# Step 2: Once VPN is active, SSH as usual:
$ ssh user@magus02.snu.edu.in
</pre>

== How to Transfer Data using WinSCP (Windows Client) ==

WinSCP is a free Windows SFTP/SCP client that provides a graphical interface for transferring files between your Windows machine and the cluster.

; Step 1 — Open WinSCP and fill in connection details, then click Login
: Launch WinSCP. In the Login dialog enter:
:* '''File protocol:''' SFTP
:* '''Host name:''' <code>magus02.snu.edu.in</code>
:* '''Port number:''' <code>22</code>
:* '''User name:''' your username
:* '''Password:''' your password
: Click the '''Login''' button.

; Step 2 — Click Yes on the Warning dialog
: On first connection, WinSCP will display a host key warning. Click '''Yes''' to accept and proceed.

; Step 3 — Transfer data using the Key Panel
: Once connected, you will see a dual-panel view: local files on the left, remote cluster files on the right.
:* '''To upload:''' Right-click a local file → Upload
:* '''To download:''' Right-click a remote file → Download
: Drag-and-drop is also supported between panels.

<div style="background:#0d1a2a;border-left:4px solid #00c9ff;border-radius:6px;padding:14px 18px;margin:16px 0;font-size:14px;color:#94a8be;">
💡 <strong>Linux / macOS alternative:</strong> Use <code>scp</code> or <code>rsync</code> from the terminal.<br><code>scp myfile.tar.gz user@magus02.snu.edu.in:~/</code>
</div>

== Applications on Magus ==

The following scientific applications are pre-installed on Magus02. Use the module system to load the appropriate environment before submitting jobs.

{| style="width:100%;border-collapse:separate;border-spacing:10px;"
|-
| style="background:#0d1b2a;border:1px solid #1e3a5a;border-radius:8px;padding:12px 16px;font-weight:600;" | 🔷 VASP
| style="background:#0d1b2a;border:1px solid #1e3a5a;border-radius:8px;padding:12px 16px;font-weight:600;" | 🔷 Quantum ESPRESSO
| style="background:#0d1b2a;border:1px solid #1e3a5a;border-radius:8px;padding:12px 16px;font-weight:600;" | 🔷 Gaussian
|-
| style="background:#0d1b2a;border:1px solid #1e3a5a;border-radius:8px;padding:12px 16px;font-weight:600;" | 🔷 Siesta
| style="background:#0d1b2a;border:1px solid #1e3a5a;border-radius:8px;padding:12px 16px;font-weight:600;" | 🔷 GROMACS
| style="background:#0d1b2a;border:1px solid #1e3a5a;border-radius:8px;padding:12px 16px;font-weight:600;" | 🔷 OpenFOAM
|}

<div style="background:#2a1a00;border-left:4px solid #f0c040;border-radius:6px;padding:14px 18px;margin:16px 0;font-size:14px;color:#d4b870;">
⚠️ <strong>Gaussian users:</strong> Gaussian requires high-memory nodes. Always submit Gaussian jobs to the <code>high_mem</code> queue and request sufficient memory with <code>#SBATCH --mem</code>.
</div>

== Queue Structure on Magus02 ==

Magus02 uses '''Slurm''' for job scheduling. Jobs are submitted to specific partitions based on required resources, node type, and runtime. Select the appropriate queue to minimise wait times.

{| class="wikitable sortable" style="width:100%;font-size:13.5px;"
|-
! style="background:#0d1b2a;color:#94a8be;" | S.No.
! style="background:#0d1b2a;color:#94a8be;" | Processor Architecture
! style="background:#0d1b2a;color:#94a8be;" | Priority
! style="background:#0d1b2a;color:#94a8be;" | Queue Name
! style="background:#0d1b2a;color:#94a8be;" | Min Cores / Job
! style="background:#0d1b2a;color:#94a8be;" | Max Cores / Job
! style="background:#0d1b2a;color:#94a8be;" | Max Nodes
! style="background:#0d1b2a;color:#94a8be;" | Wait Time
! style="background:#0d1b2a;color:#94a8be;" | Max Cores / User
! style="background:#0d1b2a;color:#94a8be;" | Max Pending Jobs
! style="background:#0d1b2a;color:#94a8be;" | Max Running Jobs
|-
| 1 || AMD EPYC 7763 || 50 || <span style="background:#0d2535;color:#00c9ff;font-family:monospace;font-size:12px;padding:2px 8px;border-radius:4px;border:1px solid #1a4060;">medium</span> || 32 || 128 || 77 || 1 week || 512 || 2 || 2
|-
| 2 || AMD EPYC 7043 || 50 || <span style="background:#0d2a10;color:#39d353;font-family:monospace;font-size:12px;padding:2px 8px;border-radius:4px;border:1px solid #1a5020;">small</span> || 8 || 32 || 16 || 1 month || 128 || 2 || 4
|-
| 3 || AMD EPYC 7543 || 60 || <span style="background:#2a2000;color:#f0c040;font-family:monospace;font-size:12px;padding:2px 8px;border-radius:4px;border:1px solid #504000;">high_mem</span> || 32 || 256 || 12 || 2 weeks || 1024 || 2 || 2
|-
| 4 || AMD EPYC 7763 || 60 || <span style="background:#2a1010;color:#f85149;font-family:monospace;font-size:12px;padding:2px 8px;border-radius:4px;border:1px solid #502020;">large</span> || 64 || 256 || 24 || 2 weeks || 1024 || 2 || 2
|-
| 5 || Intel Xeon Platinum 8368 || — || <span style="background:#1a0a30;color:#b392f0;font-family:monospace;font-size:12px;padding:2px 8px;border-radius:4px;border:1px solid #3a2060;">GPU</span> || 16 || 16 || 4 || 1 week || 32 || 2 || 2
|-
| 6 || AMD EPYC 7763 || — || <span style="background:#1a1a1a;color:#8b949e;font-family:monospace;font-size:12px;padding:2px 8px;border-radius:4px;border:1px solid #333;">low / long</span> || 32 || 1024 || All nodes || 1 month || 1024 || 2 || 8
|}

<div style="background:#0d1a0d;border-left:4px solid #39d353;border-radius:6px;padding:14px 18px;margin:16px 0;font-size:14px;color:#80b880;">
✅ <strong>Queue selection tip:</strong> For small test jobs or debugging → use <strong>small</strong>. For production multi-node runs → use <strong>medium</strong> or <strong>large</strong>. Memory-intensive applications (Gaussian, VASP single-node) → use <strong>high_mem</strong>. Long-running low-priority jobs → use <strong>low/long</strong>.
</div>

== Slurm Command Reference ==

=== Common Slurm Commands ===

<pre style="background:#0d1117;border:1px solid #21293a;border-radius:8px;padding:18px;font-family:monospace;font-size:13px;color:#e6edf3;line-height:1.8;">
# Submit a batch job
$ sbatch job_script.sh

# List all running/pending jobs
$ squeue

# Check only your jobs
$ squeue -u $USER

# Cancel a job by ID
$ scancel JOB_ID

# Check detailed job status
$ scontrol show job JOB_ID

# View partition / queue information
$ sinfo

# Start an interactive session
$ srun --pty --partition=medium --ntasks=4 /bin/bash
</pre>

=== Example Slurm Batch Script ===

<pre style="background:#0d1117;border:1px solid #21293a;border-radius:8px;padding:18px;font-family:monospace;font-size:13px;color:#e6edf3;line-height:1.8;">
#!/bin/bash
#SBATCH --job-name=my_simulation
#SBATCH --partition=medium
#SBATCH --nodes=2
#SBATCH --ntasks-per-node=64
#SBATCH --mem=256G
#SBATCH --time=7-00:00:00 # max 1 week
#SBATCH --output=slurm-%j.out
#SBATCH --error=slurm-%j.err

module load intel/oneapi mpi/intelmpi

mpirun -np $SLURM_NTASKS ./my_program
</pre>

=== Slurm Reference PDF ===

📄 [[Media:Linux_Command_Reference.pdf|Download Linux / Slurm Command Reference (PDF)]]

<div style="background:#0d1a2a;border-left:4px solid #00c9ff;border-radius:6px;padding:14px 18px;margin:16px 0;font-size:14px;color:#94a8be;">
For further assistance, contact the HPC Administration Team or raise a support ticket through the SNU IT helpdesk.
</div>

----
<div style="font-family:monospace;font-size:11px;color:#484f58;text-align:right;margin-top:8px;">
Maintained by HPC Administration · Shiv Nadar Institution of Eminence, Delhi NCR · wiki.snu.edu.in
</div>

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