ABINIT Discussion Forums

Hi Abinit users,
I try to perform a MD (ionmove=13;optcell=2) but after the first iteration SCF cycle Abinit crashes when it try to reverse the array. The following message is given:

--- !BUG
src_file: matr3inv.F90
src_line: 84
mpi_rank: 44
message: |
Attempting to invert real(8) 3x3 array
Infinity NaN -Infinity NaN Infinity NaN -Infinity NaN
Infinity ==> determinant= NaN is zero.
...


In this forum there are an open topic about it and I do not know if
this is due to possible problems with my compilation or if it is even
a code bug as the log message suggests.

Could someone help me indicating some way to proceed?
Bests
Fileti

I've been running into this issue as well with version 8.6.3, any solution yet?

Thanks,
Mat. Sci.