Computer and Storage List

Computer List

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	378	01/04/2025	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		Lijun, [Theo, Brian]	6	Intel(R) Core(TM) i7-5820K CPU @ 3.30GHz	32GB	Ubuntu 20.04				2015
moonraker	UG03a		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	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 [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		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
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
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
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
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
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.

Hobbit may also have some useful information.

Group computer reps can manage group entries in the department database and there's a hardware inventory and a 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

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