Computer and Storage List

2025-10-16T15:51:00Z

Tb852: /* Computer List */

=Computer List=
{| class="wikitable sortable"
!name
!office
!info updated
!user
!cores
!processor
!RAM
!OS
!Video Ports
!Displays
!Software
!Purchased
|-
|carpathia
|379
|
| Tests
|6
|Intel(R) Core(TM) i7-3930K CPU @ 3.20GHz
|32GB
|Ubuntu 20.04.5
|
|
|
|2014
|-
|liminal
|379
|
|Alex
|6
|Intel(R) Core(TM) i7-7800X CPU @ 3.50GHz
|128GB
|Ubuntu 20.04.5
|
|
|QChem
For FCIDUMPS: export QC=qclocal; . ~ajwt3/code/qchem/qcsetup.bash NB(22/12/22) non-canonical RHF integral dumps may be incorrect (use a UHF calc and read it in to RHF).
|2017
|-
|hypatia
|G.05
|
|NCP [Doug, Tom, Anna]
|6
|Intel(R) Core(TM) i7-3930K CPU @ 3.20GHz
|32GB
|Ubuntu 20.04.6
|
|
|
|2014
|-
|serenity
|376
|
|Andreea
|6
|Intel(R) Core(TM) i7-5930K CPU @ 3.50GHz
|64GB
|Ubuntu 22.04
|
|
|
|2015
|-
|sandstone
|UG03a
|01/04/2025
|Divye, Petar [Kripa]
|6
|Intel(R) Core(TM) i7-5820K CPU @ 3.30GHz
|32GB
|Ubuntu 22.04.5
| GTX 750 Ti
|
|QChem
source /home/hynl2/code/qcsetup.bash
|2015
|-
|gritstone
|UG11
|Offline 30/6/25
|Lijun, [Theo, Brian]
|6
|Intel(R) Core(TM) i7-5820K CPU @ 3.30GHz
|32GB
|Ubuntu 20.04
|
|
|
|2015
|-
|moonraker
|UG03a
|
|Nestor [Charlie, Moritz, Max, Nick
Benjamin]
|4
|Intel(R) Xeon(R) CPU E3-1270 v5 @ 3.60GHz
|64GB
|Ubuntu 20.04.5
|
|
|QChem
export QC_EXT_LIBS=/home/hynl2/code/extlib; source /home/hynl2/.qcsetup
|2016
|-
|obsidian
|378
|28/04/2025
|Tamara [Bence,Eline, Lila, Isha, Zian]
|6
|Intel(R) Core(TM) i7-6800K CPU @ 3.40GHz
|64GB
|Ubuntu 22.04.5
|NVIDIA GeForce GTX 750 Ti
(Compute Capability 5.0)
|
|
|2016
|-
|hylas
|378
|
|Rowan, Tom [Juan, Fabio]
|6
|Intel(R) Core(TM) i7-6800K CPU @ 3.40GHz
|64GB
|Ubuntu 20.04
|
|
|
|2016
|-
|cerberus
|UG11
|
|Alex, Bence
|6
|Intel(R) Core(TM) i7-5930K CPU @ 3.50GHz
|32GB
|CentOS 7 [FPGA development board host]
|-
|chucksty
|110
|
|Jack, [Theo, King, David]
|6
|Intel(R) Core(TM) i7-7800X CPU @ 3.50GHz
|128GB
|Ubuntu 20.04.5
|
|
|QChem
source /home/maf63/qchem-public/qcsetup
|2017
|-
|chesterian
|360
|
|Reka, [Daniel, Bang, Tarik]
|6
|Intel(R) Core(TM) i7-7800X CPU @ 3.50GHz
|128GB
|Ubuntu 20.04.5
|
|
|QChem
. /home/cbh31/code/qcsetup.public/qcselectversion.sh
|2017
|-
|behemoth
|378
|
|[Yi, Brian, Arta]
|8
|Intel(R) Xeon(R) Silver 4208 CPU @ 2.10GHz
|256GB
|Ubuntu 20.04.5
|
|/scratch2 has 18Tb of scratch
|QChem
source /home/maf63/qchem-public/qcsetup

MRCC

source /home/ajwt3/code/mrcc
|2020
|-
|nemesis
|378
|Retired 2025
|Constance
|6
|Intel(R) Core(TM) i7-4930X CPU @ 3.40GHz
|16GB
|Ubuntu 20.04.5
|-
|chiron
|UG03A
|
|Chiara
|10
|Intel(R) Xeon(R) Silver 4210R CPU @ 2.40GHz
|96GB
|Ubuntu 20.04
|
|
|
|2021
|-
|topaz
|360
|
|Lila
|8
|Intel Core i9-11900 2.5GHz 8 Core
|128GB
|Ubuntu 20.04
|NVIDIA GeForce RTX 3080
|
|
|2022
|-
|charon
|378
|
|Bence
|16(Physical) 32 Hyperthreaded
|AMD Ryzen 9 9950X3D CPU @ 4.3-5.7GHz
|128GB
|Ubuntu 24.04 (Experimental)
|NVIDIA GeForce RTX 5060
|/fastscratch has a read speed of 29GB/s, there is no quota, be nice.
|QChem
module load qchem/qchem-gnu
Will publish usage notes at some point.
|2025
|-
|slate
|UG03a
|
|Dylan
|16
|AMD Ryzen 9 5950X CPU @ 3.4GHz
|128GB
|Ubuntu 22.04
|
|
|
|2025
|-
|[https://www.ch.cam.ac.uk/computing/cerebro-compute-server cerebro]
|
|
|Alavi & Thom Groups
|12 x 20
16 x 3 [currently]
|2x Intel(R) Xeon(R) CPU X5650 @ 2.67GHz
2x Intel(R) Xeon(R) CPU E5-2650 v2 @ 2.60GHz
|24GB
64GB
|Rocks 6.2 (CentOS 6.9) SLURM queuing
|
|
|QChem
source /home/hynl2/code/qchemsetup.bash
source /sharedscratch/bc528/qchem/qcsetup.bash
MRCC

source /home/ajwt3/code/mrcc_2023
|-
|[https://www.hpc.cam.ac.uk/high-performance-computing CSD3]
|
|
|University Tier-2
|Cacade Lake 56 x 672
76 x 544 Ice Lake
|2x Intel(R) Xeon Platinum CPU 8276 @ 2.20GHz
2x Intel(R) Xeon(R) Platinum 8368Q CPU @ 2.60GHz
|192 or 384GB
256 or 512GB
|Rocky Linux 8 SLURM queuing (36h max)
|
|Free core hours are available - talk to AJWT
|QChem
source /rds/project/ajwt3/rds-ajwt3-thom1/qchem_public/qcsetup.bash
|-
|[https://www.ch.cam.ac.uk/computing/nest-compute-server nest]
|
|
|CUC3 Group cluster
|40 x 20
|2x Cascade Lake Intel(R) Xeon Gold CPU 6248 @ 2.50GHz
|192GB
|CentOS Linux release 7.9.2009 (Core) SLURM queuing
|
|
|QChem
source /home/maf63/code/qcsetup.sh

source /sharedscratch/bc528/qchem/qcsetup.bash
|-
|[https://www.ch.cam.ac.uk/computing/rogue-gpu-server rogue]
|
|
|CUC3 Group cluster
|(8 nVidia V100 + 32 CPU) x 2
|2x Sky Lake Intel(R) Xeon Gold CPU 6130 @ 2.10GHz
|192GB
|CentOS Linux release 7.9.2009 (Core) SLURM queuing
|-
|[https://www.archer2.ac.uk/ archer-2]
|
|National Tier-1 Supercomputer
| 128 x 5848
|2 x AMD EPYC Zen2 (Rome) 64-core CPUs @ 2.2GHz
|256GB and 512GB
|
|}

Machine status can be monitored at : https://hobbit.ch.cam.ac.uk/xymon/workstations/workstationsThom/workstationsThomLinux/

=Notes=

To find out your OS version, run

lsb_release -a

To determine the RAM, run

head -1 /proc/meminfo

To find out core counts, run

cat /proc/cpuinfo

NB the number of 'processors' may be different from the number of cores owing to hyperthreading. The 'cpu cores' value is the one to take for single CPU machines.

[http://hobbit.ch.cam.ac.uk/xymon/workstations/workstationsThom/workstationsThomLinux/ Hobbit] may also have some useful information.

[https://www.ch.cam.ac.uk/computing/group-computer-representatives Group computer reps] can manage group entries in the department [https://chemdb.ch.cam.ac.uk/hotwire3/chemistry/ database] and there's a [https://apps.ch.cam.ac.uk/computer-reps/group-computers.php hardware inventory] and a [https://apps.ch.cam.ac.uk/space-management/space-report.php space report] too.

=Storage=
A common cause of running out of storage on your workstation is anaconda which puts stuff in /home. This can be safely moved to /scratch and a symbolic link.

cd $HOME
mv .conda /scratch/$USER
ln -s /scratch/$USER/.conda

To find out how much storage you have available and what files/directories are taking up space, the following commands are useful. The first one shows how much space is used/available on each partition, and the second shows the size of everything in the current directory.

df -h
du -sh * | sort -hr

If you can't find any fiiles in /scratch/$USER/thom-fs-common you might need to authenticate with a password. You can do this if you are using key authentication with

ssh -oPubkeyauthentication=no localhost

{| class="wikitable"
!Name
!Type
!Amount
!Notes
|-
|/home/$USER
|local disk
|~50Gb per person (changed to ~100GB after upgrade to 20.04)
|Backed up with snapshots - Theory RIG policy
|-
|/scratch/$USER
|local disk
|~1Tb+ depending on computer
|NOT BACKED UP
|-
|/scratch/$USER/thom-fs-nethome
/scratch/$USER/thom-fs-common
|Chemistry network drive
|2.3T
|Backed up with snapshots - Theory RIG policy
|-
|/scratch/$USER/ifs-thom
|Former UIS Mount - now located at /scratch/$USER/thom-fs/old-ifs-thom
|6144Gb
|Read-only
|-
|/scratch/$USER/theory-fs
|Chemistry network drive
|~50Gb per person
|Backed up with snapshots - Theory RIG policy
|-
|cerebro:/filestore
|Local RAID array
|36950Gb
|Backed up with snapshots - Theory RIG policy
|}

=Theory RIG backup policy=
From https://www.ch.cam.ac.uk/computing/managed-linux-workstations-faq

have a few backups taken over the last 24 hours

then, about one backup per day for the previous week

then, about one backup per week for the previous month

then, about one backup per month for the previous few months

Thom Group Wiki - User contributions [en]

Computer and Storage List