daily exx test failed

[pxlxingliang]

Describe the bug

The daily exx test at 20240516 is failed. Two of the examples raise errors related to memory.

385_NO_GO_RE_S1_HSE

 STEP OF RELAXATION : 1
 -------------------------------------------
 START CHARGE      : atomic
 DONE(12.5731    SEC) : INIT SCF
 ITER   ETOT(eV)       EDIFF(eV)      DRHO       TIME(s)    

malloc(): unaligned tcache chunk detected

386_NO_GO_MD_S1_HSE

 STEP OF MOLECULAR DYNAMICS : 0
 -------------------------------------------
 START CHARGE      : atomic
 DONE(11.6326    SEC) : INIT SCF
 ITER   ETOT(eV)       EDIFF(eV)      DRHO       TIME(s)    
 GE1    -4.655678e+02  0.000000e+00   2.249e-01  3.427e-01  
 GE2    -4.661634e+02  -5.956334e-01  1.188e-01  3.436e-01  
 GE3    -4.660560e+02  1.073815e-01   8.665e-02  3.480e-01  
...
 Updating EXX and rerun SCF	3.858e-03 (s)
 GE1    -4.659976e+02  0.000000e+00   1.132e-09  9.466e-01  

free(): unaligned chunk detected in tcache 2

https://app.bohrium.dp.tech/abacustest/?request=GET%3A%2Fapplications%2Fabacustest%2Fjobs%2Fsched-abacustest-exx-test-ea6c1c

exx.zip

Expected behavior

No response

To Reproduce

No response

Environment

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Additional Context

No response

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[pxlxingliang]

The test at 20240516 with commit c4db904 is passed.
One of the commits after c4db904 may introduce some bugs:
24a27b9
cc96be0
b5ac150
a8e0d66
6138a50

[pxlxingliang]

I have run one of the failed example (385_NO_GO_RE_S1_HSE) on previous commits repeating 3 times, and only on commit 24a27b9, the example failed two times in the SCF process.
The two error messages are:

malloc_consolidate(): unaligned fastbin chunk detected

double free or corruption (fasttop)
malloc_consolidate(): unaligned fastbin chunk detected

The outputs:
exx (2).zip

The timeline of these commits are:

We should check the commit 24a27b9 again, which may be the origin of this issue.

[WHUweiqingzhou]

This issue has been solved by #4189