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Strange Bug in 315_NO_sol_H2O

Open mohanchen opened this issue 8 months ago • 2 comments

Describe the bug

When the lattice vectors of cell in 315_NO_sol_H2O changed from current ones to 10 10 10 or 10 8 10, an assert error with the message "nspin>0" will be reported. However, it actually seems that the error doesn't lie here but is caused by some other issues. Therefore, this situation is defined as a bug.

mohanchen avatar Apr 30 '25 07:04 mohanchen

Currently, I cannot reproduce this bug.

YuLiu98 avatar May 07 '25 09:05 YuLiu98

Image It comes from line 38, the row size of v_eff is assumed to be same as NSPIN, when grid point along z-axis (nz) less than MPI-processes, v_eff will not be allocated and the row size would be zero, which will cause the error in this Issue.

Image It will return in line 134 and skip the allocate function, I think this is a bug which need to be fixed.

dyzheng avatar Jun 16 '25 13:06 dyzheng