Pith Number

pith:WF7X5RZG

pith:2026:WF7X5RZGA5NKX7OINSBJSNOLRP

not attested not anchored not stored refs pending

GPU acceleration of plane-wave density functional theory calculations in Abinit

Ioanna-Maria Lygatsika, Lucas Baguet, Marc Sarraute, Marc Torrent, Pierre Kestener

Abinit achieves GPU speedups for plane-wave DFT by revising the Kohn-Sham iterative diagonalizer.

arxiv:2604.11139 v2 · 2026-04-13 · cond-mat.mtrl-sci

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\usepackage{pith}
\pithnumber{WF7X5RZGA5NKX7OINSBJSNOLRP}

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Record completeness

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4 Citations open

5 Replications open

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The bundle contains the canonical record plus signed events. A mirror can host it anywhere and recompute the same current state with the deterministic merge algorithm.

Claims

C1strongest claim

The Abinit implementation on multi-GPU architectures provides detailed performance results to compare CPU nodes versus heterogeneous CPU-GPU nodes, with particular attention given to the comparison of LOBPCG and Chebyshev polynomial filtering in terms of their GPU efficiency.

C2weakest assumption

That the algorithmic revisions to the iterative diagonalization procedure preserve the numerical accuracy and convergence properties of the original CPU implementation while achieving the reported GPU speedups.

C3one line summary

Abinit's plane-wave DFT solver has been ported to multi-GPU architectures with performance benchmarks comparing CPU and CPU-GPU nodes for LOBPCG and Chebyshev filtering diagonalization methods.

Receipt and verification

First computed	2026-05-28T02:04:47.575082Z
Builder	pith-number-builder-2026-05-17-v1
Signature	Pith Ed25519 (`pith-v1-2026-05`) · public key
Schema	pith-number/v1.0

Canonical hash

b17f7ec726075aabfdc86c829935cb8be5492ad31c2dd50967fc4e6173da1a50

Aliases

arxiv: 2604.11139 · arxiv_version: 2604.11139v2 · doi: 10.48550/arxiv.2604.11139 · pith_short_12: WF7X5RZGA5NK · pith_short_16: WF7X5RZGA5NKX7OI · pith_short_8: WF7X5RZG

Agent API

Resolver JSON Graph JSON Events JSON Schema Signing key

Verify this Pith Number yourself

curl -sH 'Accept: application/ld+json' https://pith.science/pith/WF7X5RZGA5NKX7OINSBJSNOLRP \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: b17f7ec726075aabfdc86c829935cb8be5492ad31c2dd50967fc4e6173da1a50

Canonical record JSON

{
  "metadata": {
    "abstract_canon_sha256": "022d5ab9ada1f0a8e40af2c20448ead0d7d26cdee3c1eeb13c35b661e332efb0",
    "cross_cats_sorted": [],
    "license": "http://creativecommons.org/licenses/by/4.0/",
    "primary_cat": "cond-mat.mtrl-sci",
    "submitted_at": "2026-04-13T07:54:17Z",
    "title_canon_sha256": "36353f10c2239fb738dcfc693699eaf794d793fd5919ff9fee42a47f421b47bd"
  },
  "schema_version": "1.0",
  "source": {
    "id": "2604.11139",
    "kind": "arxiv",
    "version": 2
  }
}