NaN in GW calculation

[liuyang_phy]

Dear developers,

I'm using Yambo 5.1.1 to perform GW0 calculations on my 2D system. Everything is ok and no errors presented in my log files.
But, the values of (E-Eo) and Sc(Eo) are NaN in my o-xx.qp files for each K-point and each band. Moreover, i found this error appears
only when i do parallel computing on mutiple nodes. If i just run it on one node, the qp corrections seems normal. Even stranger,
sometimes the parallel computing may turns to be normal when i changes some parameters of my input file. I attached my input file.
What's the problem of my yambo code and How to fix it ? Thank you for your generous help!

Best,
Liu Yang
PhD student
Hua zhong university of science and technology, China

[Daniele Varsano]

Dear Liu,
not easy to understand such a behaviour, probably a miscompilation in parallel.

can you try to run in parallel by assigning the parallel structure by hand e.g.:

X_and_IO_CPU= "1 1 1 36 2" # [PARALLEL] CPUs for each role
X_and_IO_ROLEs= "k g q c v" # [PARALLEL] CPUs roles (q,g,k,c,v)
DIP_CPU= "1 36 2" # [PARALLEL] CPUs for each role
DIP_ROLEs= "k c v"
SE_CPU= "1 2 36" # [PARALLEL] CPUs for each role
SE_ROLEs= "q qp b" # [PARALLEL] CPUs roles (q,qp,b)

Before rerunning the calculation, please delete all the previous databases.
Best,
Daniele