Nextmol is a spin-off company of the Barcelona Supercomputing Center. It develops a Software-as-a-Service platform that provides molecular modeling and artificial intelligence tools to accelerate the design of better and greener chemicals.
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We are looking for an HPC Sysadmin to help us to bring the platform to the next level.
Requirements
- 4+ years of experience operating and evolving on‑premise HPC clusters, with ownership of hardware lifecycle, networking, high availability, monitoring, and performance optimization.
- Strong expertise administering and tuning Slurm at scale : (i) Scheduling policies, QoS, fairshare;
(ii) Resource accounting, capacity planning, and performance troubleshooting.
- Proven experience designing and operating distributed storage for HPC (e.G., Lustre, BeeGFS, Ceph, or equivalent).
- Automation and Infrastructure as Code skills using Pulumi, Ansible, Packer, or equivalent, with strong scripting in Bash, Python, or similar.
- Experience with virtualization, containers, and provisioning tools : (i) Proxmox, Docker/Podman;
(ii) xCAT, Foreman, or similar.
- Expert Linux system administration skills (Rocky Linux, AlmaLinux), including tuning and security best practices.
- Strong collaboration and communication skills, ability to work autonomously, and act as a technical reference within cross‑functional teams.
Nice to have
- Hands-on experience with monitoring and reporting platforms : Grafana, XDMoD, Prometheus, or equivalent.
- Hands-on experience extending on‑prem HPC environments to the cloud using AWS bursting, including hybrid Slurm setups, GPU-enabled images, EBS performance tuning, and cost optimization.
- Solid experience with AWS infrastructure and networking : (i) VPC design, site-to-site VPN, Transit Gateway;
(ii) Reliable on‑prem ↔cloud connectivity
- Track record delivering complex HPC infrastructure projects end to end.
- Experience with GPU-heavy workloads, or research environments.
What you will do in Nextmol
Participate in challenging projects in the field of computational chemistry, where your work will have a direct impact on the design and development of new molecules and materials, by:
- Contributing to plan and design the computational chemistry platform.
- Making technical decisions to advance the infrastructure of the platform.
- Coding using best practices.
Who we are and what we want
- A horizontal team where everyone can contribute and learn.
- Multidisciplinary profiles being able to carry out tasks autonomously.
- Software engineers who always want to improve their skills.
Conditions
- Competitive salary, taking into