leonarski_fandClaude Opus 5.5 ed2d557bb7 ModelValidation: a CUDA failure fails the validation instead of restarting it on the CPU ...

A CUDA error on the validation's GPU path (rigid body, structure factors,
maps) used to start the whole validation again on the CPU - a migration
part way through, which makes how long a run takes, and in principle what
its rigid bodies converge to, depend on a device fault. It now ends the
validation with ok = false and a logged reason ("the GPU failed during the
validation (...)"), which the run reports as MODEL_NOT_VALIDATED. A
validation that did not finish decides nothing, so the reflection files
are those of a run without a model. Where there is no GPU at all, or the
up-front rule sends the work to the CPU, nothing changes.

Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi

2026-10-09 12:47:04 +02:00

..

CMakeLists.txt

rugnux: model validation's structure factors and maps on the GPU

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ModelDensityGPU.cu

rugnux: model validation's structure factors and maps on the GPU

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ModelDensityGPU.h

rugnux: model validation's structure factors and maps on the GPU

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ModelFFT.cpp

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelFFT.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelGrid.cpp

ModelMaskGPU: gemmi's shrink step, so fine rigid-body zones stay on the GPU

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ModelGrid.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelMaskGPU.cu

ModelMaskGPU: gemmi's shrink step, so fine rigid-body zones stay on the GPU

2026-10-09 12:38:37 +02:00

ModelMaskGPU.h

ModelMaskGPU: gemmi's shrink step, so fine rigid-body zones stay on the GPU

2026-10-09 12:38:37 +02:00

ModelScaleGPU.cu

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelScaleGPU.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelScaling.cpp

ModelScaling: name GEMMI's scaling.hpp, whose target FixedSolventFit follows

2026-10-09 00:29:54 +02:00

ModelScaling.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

ModelStructureFactorsGPU.cpp

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

ModelStructureFactorsGPU.cu

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

ModelStructureFactorsGPU.h

rugnux: model validation's structure factors and maps on the GPU

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ModelStructureFactorsGPUEngine.h

rugnux: model validation's structure factors and maps on the GPU

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ModelValidation.cpp

ModelValidation: a CUDA failure fails the validation instead of restarting it on the CPU

2026-10-09 12:47:04 +02:00

ModelValidation.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

RigidBodyGPU.cpp

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

RigidBodyGPU.cu

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

RigidBodyGPU.h

ModelValidation: a CUDA failure fails the validation instead of restarting it on the CPU

2026-10-09 12:47:04 +02:00

RigidBodyGPUEngine.h

rugnux: model validation's structure factors and maps on the GPU

2026-10-09 12:38:37 +02:00

RigidBodyRefine.cpp

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

RigidBodyRefine.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

SigmaA.cpp

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00

SigmaA.h

Move the atomic-model code to image_analysis/structure_refinement/ and WriteModel to writer/

2026-10-07 14:05:37 +02:00