Description

Purdue's Anvil cluster built in partnership with Dell and AMD consists of 1,000 nodes with two 64-core AMD EPYC "Milan" processors each and delivers over 1 billion CPU core hours each year, with a peak performance of 5.1 petaflops. Each of these nodes has 256GB of DDR4-3200 memory. A separate set of 32 large memory nodes has 1TB of DDR4-3200 memory each. Anvil's nodes are interconnected with 100 Gbps Mellanox HDR100 InfiniBand.

Resource ID
738
Global Resource ID
anvil.purdue.access-ci.org
Resource Type
Compute
Latest Status
production
Latest Status Begin
Latest Status End
Project Affiliation
ACCESS
Organization Name
Purdue University
RP Description

Anvil CPU is a compute cluster consisting of 1,000 nodes with two 64-core AMD EPYC 7763 processors and 256 GB of memory each, plus 32 large-memory nodes with 1 TB. It is particularly well suited for CPU-bound work that scales across many cores or many nodes, and is often used for simulation, modelling and large-scale data processing. It includes a great deal of general-purpose scientific software, with compilers, MPI libraries and domain packages loaded through the module system.

Top Software (cached)
[{"name":"python","job_count":61383,"description":"Python is a high-level, interpreted programming language known for its simplicity and readability. It supports multiple programming paradigms and has a vast ecosystem of libraries and frameworks.","research_field":"Computer & Information Sciences, Software Engineering, Systems & Development","web_page":"https:\/\/www.python.org\/","documentation":"https:\/\/docs.python.org"},{"name":"orca","job_count":11015,"description":"Orca is a flexible, efficient, and powerful quantum chemistry software written by Frank Neese and co-workers. It provides accurate and reliable computational simulations of molecular structures and properties based on quantum mechanical methods.","research_field":"Chemical Sciences","web_page":"https:\/\/www.kofo.mpg.de\/en\/research\/services\/orca","documentation":"https:\/\/www.kofo.mpg.de\/970316\/orca_manual_5_0_4.pdf"},{"name":"lammps","job_count":8316,"description":"LAMMPS (Large-scale Atomic\/Molecular Massively Parallel Simulator) is a classical molecular dynamics code designed for simulating large-scale atomistic systems. It is highly versatile and can be used to model a wide range of materials and complex molecular structures.","research_field":"Chemical Sciences","web_page":"https:\/\/www.lammps.org\/","documentation":"https:\/\/docs.lammps.org\/Manual.html"},{"name":"r","job_count":2772,"description":"R is a free software environment for statistical computing and graphics. It compiles and runs on a wide variety of UNIX platforms, Windows, and MacOS.","research_field":"Computer Science","web_page":"https:\/\/www.r-project.org\/","documentation":"https:\/\/cran.r-project.org\/manuals.html"},{"name":"gamess","job_count":2675,"description":"The General Atomic and Molecular Electronic Structure System (GAMESS) is a suite of ab initio quantum chemistry programs designed for electronic structure calculations of molecules and molecular reactions. It provides a wide range of methods for both molecules and periodic solids.","research_field":"Chemical Sciences","web_page":"https:\/\/www.msg.chem.iastate.edu\/gamess\/index.html","documentation":"https:\/\/www.msg.chem.iastate.edu\/gamess\/documentation.html"},{"name":"openfoam","job_count":2557,"description":"OpenFOAM (Open Source Field Operation and Manipulation) is a free, open-source computational fluid dynamics (CFD) software package developed by the OpenFOAM Foundation. It is widely used for simulating complex fluid flows in various industries and academic research.","research_field":"Physical Sciences","web_page":"https:\/\/www.openfoam.com\/","documentation":"https:\/\/doc.openfoam.com\/2312\/"},{"name":"q-espresso","job_count":2497},{"name":"spec","job_count":2302},{"name":"gromacs","job_count":2265,"description":"GROMACS (GROningen MAssive Parallel MD for Molecular Dynamics) is a versatile package for molecular dynamics simulations with a strong emphasis on high-performance computing capabilities.","research_field":"Biological Sciences","web_page":"https:\/\/www.gromacs.org\/","documentation":"https:\/\/manual.gromacs.org\/current\/index.html"},{"name":"citcoms","job_count":1415}]
MFA Required
On
Jobs Information

You can run jobs at different sizes and durations on Anvil CPU. The following lists the different queues that you can submit to, describing how many nodes you get, how long you can run, the type of resources you get, and the average wait time.

Jobs are submitted through the Slurm scheduler. Run batch jobs with sbatch, start interactive work with srun or salloc, or launch an application through Open OnDemand.

Always name the partition you want with -p. If you do not, the job goes to shared, where jobs from different users run on the same node and you are charged for the cores you request or the share of memory you request, whichever is larger. The wholenode and wide partitions are node-exclusive: even a one-core request is given an entire node and charged for all 128 cores, and squeue reports it as 128 cores. The highmem partition is charged at a higher rate than the regular partitions.

Jobs can run for up to four days on up to 16 full nodes, and the largest job Anvil accepts is 7,168 cores - anything larger needs a consulting ticket. Per-queue wall-clock limits are in the queue table; if you do not set one, the partition default applies, which scontrol show partition reports.

For more information about running jobs on Anvil, see [Anvil Running Jobs].

Queue Specifications
Queue Name
highmem
Purpose
Jobs that need more memory on one node than a regular node provides. Charged at a higher rate, so use it only when the memory is the reason.
CPU Type
2x AMD EPYC 7763
GPU Type
None
CPU Count
128
Node RAM
1000
Queue Name
shared
Purpose
Jobs that need only part of a node, charged for the cores or the memory share you request. This is where your job goes if you do not name a partition.
CPU Type
2x AMD EPYC 7763
GPU Type
None
CPU Count
128
Node RAM
256
Queue Name
debug
Purpose
Short test and debugging runs, with priority access so you wait less. Use it before submitting production work.
CPU Type
2x AMD EPYC 7763
GPU Type
None
CPU Count
128
Node RAM
256
Queue Name
wide
Purpose
Large multi-node jobs that need many nodes for a short time. Node-exclusive.
CPU Type
2x AMD EPYC 7763
GPU Type
None
CPU Count
128
Node RAM
256
Queue Name
wholenode
Purpose
Production runs that need whole nodes to themselves. Use this for most multi-node work.
CPU Type
2x AMD EPYC 7763
GPU Type
None
CPU Count
128
Node RAM
256
Datasets
Dataset Name
GeoAI
Dataset Description

https://datasetdocs.readthedocs.io/en/latest/geoai/index.html