Dear Abinit users,
While I was testing Multibinit for spin dynamics simulations (example nr.1, tmulti5_1 from the test folder) I noticed how values for the final magnetic moment differ as the number of processors increases. The results are listed below (examples of full results attached). I used ABINIT v.9.2.2 compiled with Intel2018 compilers on a local AMD-based cluster (each node having two 24-core processors).
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nproc | Ms
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1 | 4.10E-01
2 | 4.11E-01
4 | 4.03E-01
8 | 4.09E-01
16 | 4.02E-01
24 | 3.39E-01
32 | 4.06E-01
48 | 2.52E-01
96 | 6.44E-02
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I am not sure what I am doing wrong as I just ran the ready-made examples...has anyone encountered anything similar?
Cheers,
Aleks
Multibinit spin dynamics inconsistencies
Moderators: MMNSchmitt, gonze
Multibinit spin dynamics inconsistencies
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0001_tmulti5_1.out- (23.72 KiB) Downloaded 527 times
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- 0004_tmulti5_1.out
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- 0007_tmulti5_1.out
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- 0008_tmulti5_1.out
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