Fix CUDA error related to 097_PW_PBE0_AFM and 097_PW_PBE0_FM in 01_PW - #7926
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mohanchen merged 2 commits intoSep 8, 2026
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September 7, 2026 19:12
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After modification:
(base) chenglei@LAPTOP-G5PS9KT3:~/abacus-develop/tests/01_PW$ bash ../integrate/Autotest.sh -n 1 -a /home/chenglei/abacus-develop/build/abacus_basic_gpu -f <(echo "097_PW_PBE0_AFM/")
-----AUTO TESTS OF ABACUS ------
ABACUS path: /home/chenglei/abacus-develop/build/abacus_basic_gpu
Number of processes: 1
Number of threads: 32
Test accuracy totenergy: 0.0000001 eV
Test accuracy force: 0.0001
Test accuracy stress: 0.001
Test accuracy descriptor mean: 0.00001
Check accuaracy: 8
Test cases file: /dev/fd/63
Test cases regex: ^[^#].*_.*$
Generate reference:
--------------------------------
[ RUN ] 097_PW_PBE0_AFM/
[----------] Fe Anti-ferromagnetic with nspin=2 hybrid functional (PBE0), PW basis, init magnet: up + down
[ OK ] etotref
[ OK ] etotperatomref
[----------] Time elapsed: 9.750 seconds
[ PASSED ] 2 test cases passed.
(base) chenglei@LAPTOP-G5PS9KT3:~/abacus-develop/tests/01_PW$ bash ../integrate/Autotest.sh -n 1 -a /home/chenglei/abacus-develop/build/abacus_basic_gpu -f <(echo "097_PW_PBE0_FM/")
-----AUTO TESTS OF ABACUS ------
ABACUS path: /home/chenglei/abacus-develop/build/abacus_basic_gpu
Number of processes: 1
Number of threads: 32
Test accuracy totenergy: 0.0000001 eV
Test accuracy force: 0.0001
Test accuracy stress: 0.001
Test accuracy descriptor mean: 0.00001
Check accuaracy: 8
Test cases file: /dev/fd/63
Test cases regex: ^[^#].*_.*$
Generate reference:
--------------------------------
[ RUN ] 097_PW_PBE0_FM/
[----------] Fe Ferromagnetic with nspin=2 hybrid functional (PBE0), PW basis, init magnet: up + up
[ OK ] etotref
[ OK ] etotperatomref
[----------] Time elapsed: 15.090 seconds
[ PASSED ] 2 test cases passed. |
Flying-dragon-boxing
requested changes
Sep 7, 2026
Flying-dragon-boxing
approved these changes
Sep 8, 2026
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fix #7925