[QE-users] Problems computing Cholesky

[Zhao-Bin Ding]

Dear all,

I also run into such problems frequently, especially at the time I am 
calculating large systems (100+ atoms) with small amount of k-points. In 
the recent case (gamma-point calculations of a molecule in MFI cage) I 
solved the problem by changing the number of processors from 36 to 16. 
So it seems like the problem is related to the parallelization. Also I 
found my job run smoothly with number of processors equals to either 24 
or 68.

Hope it helps you.

Best,

Zhao-Bin Ding