HPC and IT Infrastructure Engineer

We are seeking an HPC and IT Infrastructure Engineer to manage the computing environment our science runs on. In this role, you will be in charge of the clusters where our simulations execute, the network and devices our team works from, and the security controls that protect both.

You will work directly with computational chemists and software engineers whose results depend on the cluster being fast and available, and you will have a real say in how the environment is designed. Expect roughly 60% of your time on HPC and infrastructure engineering, and 40% on IT services and security operations., * Administer the on-premises HPC cluster and AWS ParallelCluster environments, including scheduler, queues, accounting and capacity, with an eye on cloud spend.

• Maintain the scientific software stack (modules, containers, compilers, MPI, CUDA) and troubleshoot performance and reliability issues alongside the researchers running the jobs.
• Support clusters dedicated to client projects, including maintenance and documentation.
• Operate the office network, servers, storage and backups.
• Administer internally hosted services and applications, including the intranet and the ticketing system.
• Provide first- and second-line user support through our internal ticketing system, covering user onboarding and offboarding, credentials and access control, and the management of laptops, workstations and company devices.
• Manage endpoint security, alert response and vulnerability remediation, and maintain the technical controls required by ISO/IEC 27001.
• Automate recurring operational work and keep configuration standards documented.

• Solid Linux systems administration experience, including networking, storage and troubleshooting at the OS level.
• Hands-on experience administering HPC clusters with Slurm: partitions, QOS, accounting and job troubleshooting.
• Experience building or maintaining scientific software environments: module systems, containers, compilers and MPI.
• Experience with AWS, particularly compute, storage and networking services, and cost awareness in cloud environments.
• Scripting and automation (Bash, Python) and configuration management or infrastructure as code.
• Experience managing endpoints and user accounts across mixed operating systems, including identity and access management.
• Working knowledge of information security practice: access control, endpoint protection, vulnerability management, and incident response.
• Ability to document your work clearly and to communicate with non-specialist users.

We will value experience in

• AWS ParallelCluster or other cloud HPC deployments.
• GPU infrastructure: CUDA toolchains, drivers, and scheduling GPU workloads.
• Compiling and installing open-source or scientific software, resolving dependency issues, and delivering functional builds to end users.
• ISO/IEC 27001 implementation or audit support, and GDPR technical controls.
• Security monitoring and SIEM tooling, and infrastructure monitoring.
• Working in a client-facing or regulated environment where infrastructure is part of a service commitment.

• Competitive salary according to experience and Barcelona city.
• Flexible working hours and teleworking policy.
• Health care insurance.
• Possibility to have food, transportation, or nursery tickets (tax benefits).
• As part of career plan and development plans, Nostrum will facilitate all necessary training and future certifications to bring this role to the next level.
• Exposure to international projects and teams, with offices in Barcelona and Boston and a growing footprint in Asia

Nostrum Biodiscovery is a biotech company and computational drug discovery technology developer, spun out of the Barcelona Supercomputing Center and IRB Barcelona, working with major pharmaceutical companies, emerging biotechs, and exciting spinouts worldwide. We build proprietary platforms - including PELE®, XNA-Hub®, and TPD-Suite® - that tackle targets conventional methods can’t reach: cryptic and allosteric pockets, targeted protein degradation, and nucleic acid therapeutics.

Our edge is a rare combination: technologies that cut costs and accelerate discovery, computational and predictive capacity that scales research beyond what wet-lab work alone can achieve, and a team whose excellence is backed by the world-leading institutions that have supported this project for years. We collaborate closely with key opinion leaders and top-10 global pharma partners on open problems in drug discovery - and when the tools we need don’t exist yet, we build them.

Our ~45-person team spans Drug Discovery, Protein Engineering, Nucleic Acids, AI, and Technology/Platform groups in Barcelona. After opening our Boston office last year, we’re now expanding into Asia, entering a phase that offers real opportunity to shape both the science and the company. We’re interdisciplinary by design: our best solutions come from people with different expertise pushing on the same hard problem together, in a culture where good ideas travel fast regardless of who they come from.

If you want to work at the intersection of computation and biology and help build what comes next, we’d like to talk.