Fix potential Data race in OpenMP#7345

Merged

mohanchen merged 16 commits into

deepmodeling:developfrom

mohanchen:data_race

May 17, 2026

Commits on May 15, 2026

fix data race
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fix potential data race
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fix data race in pw
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fix potential data race
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update format
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fix data race in fft
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Commits on May 16, 2026

fix
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Commits on May 17, 2026

Merge branch 'develop' into data_race
mohanchen
authored
Fix data race in evolve_ofdft.cpp for TDOFDFT calculation. Cache shared member variables (nspin, nrxx, npw, gg, tpiba, tpiba2, gcar) to local const variables before OpenMP parallel regions to elimi…
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Fix OpenMP barrier placement in pw_gatherscatter.h. The #pragma omp barrier directive must be inside an explicit #pragma omp parallel region, not after #pragma omp for which ends the implicit paral…
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Remove obsolete OMP barrier comments from pw_gatherscatter.h
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Rename local variables with underscore suffix in pw_gatherscatter.h to distinguish from member variables (nst -> nst_, nz -> nz_, etc.)
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Rename local variables with underscore suffix in pw_transform.cpp to distinguish from member variables (nrxx -> nrxx_, npw -> npw_, nxyz -> nxyz_, nst -> nst_, nz -> nz_, nx -> nx_, ny -> ny_, npla…
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Rename local variables with underscore suffix in fft_cpu.cpp to distinguish from member variables (npy -> npy_, nx -> nx_, lixy -> lixy_, rixy -> rixy_, nplane -> nplane_, and FFTW plan objects)
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Remove redundant #pragma omp barrier directives in pw_gatherscatter.h. The #pragma omp for directive already performs implicit synchronization at the end of the loop, making explicit barrier redund…
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add WARNING_QUIT
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