PLUMED
PLUMED is an enhanced-sampling and collective-variable library used with MD engines (GROMACS, LAMMPS, …). On the Orange Pi RV2 we swap the OpenBLAS backend under an unchanged plumed driver via FlexiBLAS.
Benchmark source: opensolvers/benchmarks/plumed. Module: PLUMED/2.9.4-foss-2025b on EESSI 2025.06-001.
Change one variable. Same PLUMED binary / trajectory; only FlexiBLAS OpenBLAS (scalar vs patched RVV) differs.
Bottom line: per-frame SPRINT on a
CONTACT_MATRIX(dense N×N LAPACK) — patched RVV 1.25× vs scalar. Checksums match.
Workload
N particles, synthetic cubic LJ liquid. Largest-eigenvalue topological CVs → dense LAPACK through FlexiBLAS:
d: DENSITY SPECIES=1-N
mat: CONTACT_MATRIX ATOMS=d SWITCH={RATIONAL R_0=1.2 D_MAX=2.0}
ss: SPRINT MATRIX=mat
Note: bare CONTACT_MATRIX ATOMS=1-N + SPRINT segfaults on this build; the DENSITY wrapper is required.
Results (2026-08-21)
| Backend | Wall (N=200, 20 frames) |
|---|---|
scalar (RISCV64_GENERIC) |
80.36 s |
| patched RVV | 64.11 s (1.25×) |
Checksum: sum(ss.*)=975.389111 on last frame (both backends).
Related BLAS context: BLAS, PETSc.
Measured: 2026-08-21 on Orange Pi RV2.