arXiv subjects

Íñigo Aréjula-Aísa

Publications and source records attributed to Íñigo Aréjula-Aísa.

4 recordsLinked to original sources

arXiv2026

Enabling Dynamic Resource Scaling in Quantum Circuit Simulations

Studies of quantum algorithms often simulate se- quences of circuits whose number of qubits changes from one circuit to the next, such as instances of increasing size of the same problem. Since each additional qubit doubles the state- vector, every circuit needs a different number of nodes, which a fixed allocation on a shared High-Performance Computing (HPC) system cannot provide: a job sized for the largest circuit leaves most of its nodes idle, and one job per circuit adds scheduler interactions and queue waits. We make the QuEST state-vector simulator malleable with the Dynamic Management of Resources (DMR) framework, so that a single job resizes between circuits. Because no state-vector exists between circuits, reconfigurations require no data redistribution and no changes to the simulation kernels, and a checkpoint holding the index of the next circuit is enough to resume. A right-sizing policy derives the number of nodes from the number of qubits, and the circuit_executor API hides reconfigurations from the user. We evaluate the reconfiguration overhead on MareNostrum 5 and show that a single job can run a batch of circuits of different sizes, adapting its allocation to each of them with negligible overhead.

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arXiv2026

Communication-Aware Qubit Placement and Automatic Node-Count Allocation for Distributed State-Vector Simulation

Distributed quantum circuit simulation enables the execution of large-scale quantum algorithms by partitioning qubits across multiple computational nodes. However, inefficient qubit placement frequently leads to excessive inter-node communication, severely limiting performance and scalability. This work introduces a communication-aware qubit layout optimization framework that systematically minimizes data exchange among nodes while dynamically selecting the optimal number of computational resources. Integrated into the QuCSLO library, our approach supports dynamic node scaling, OpenQASM parsing, and seamless integration with the QuEST simulator. Extensive evaluations on both synthetic benchmarks and real-world QASMBench circuits demonstrate that optimized layouts significantly reduce communication cuts and yield runtime speedups of over 2x compared to identity layouts, particularly in highly entangled circuits. Our results underscore the critical impact of strategic qubit placement on distributed simulation efficiency and provide a practical, resource-scalable solution for quantum workloads.

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arXiv2026

Malleable Molecular Dynamics Simulations with GROMACS and DMR

Static resource allocations in high-performance computing (HPC) lead to inefficiencies for time-varying workloads, causing idle resources, queue delays, and higher node-hour costs. The Dynamic Management of Resources (DMR) middleware enables MPI process malleability in Slurm via a simple API decoupled from scheduler internals. In this work, we integrate DMR into the GROMACS molecular dynamics engine to obtain a malleable variant that can dynamically adapt its MPI process count by combining communication-efficiency-aware reconfiguration with GROMACS' native checkpoint/restart mechanism. We evaluate this design on the MareNostrum~5 supercomputer, comparing dynamic runs against static executions and quantifying reconfiguration overheads, time-to-solution, and node-hour savings for bursty GROMACS workloads.

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arXiv2026

A Test Taxonomy and Continuous Integration Ecosystem for Dynamic Resource Management in HPC

High-performance computing (HPC) systems are increasingly exploring dynamic resource management and malleable MPI applications to better adapt to heterogeneous architectures, fluctuating workloads, and energy constraints. However, the correctness of the libraries that support these techniques is often evaluated through ad hoc experiments that can be difficult to reproduce and maintain. This article introduces methodology for testing dynamic resource management frameworks that combines a taxonomy of tests for MPI malleable libraries with an HPC-oriented continuous integration (CI) ecosystem. The taxonomy structures functional and non-functional tests at both component-integration and system levels. The CI ecosystem instantiates this taxonomy in a containerized virtual cluster enabling automated validation. The approach is instantiated and evaluated using the Dynamic Management of Resources (DMR) framework as a representative case study. Results show that the proposed methodology improves early fault detection, simplifies maintenance under evolving dependencies, and transfers to other malleability solutions that expose analogous primitives for initialization, readiness checking, and reconfiguration.

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