[Wannier] The frequently occurred 'Memory Overflow' when calculating Quasi-particle energies with yambo in GW calculations

[zhangkan3 at mail.sysu.edu.cn]

Dear Experts,

Following the example 23 in wannier90 tutorial, the QP energies calculation step with yambo code appears to be a memory eater. Previously a pure carbon system I calculated was always terminated until I change the nod to another nod with 128G memory. But this issue has occurred again in my present doped system, and the 128G nod cannot worked again this time. My computational environment is 128G per nod with 24 cores. I have tried one nod and two or three parallel nods, the results are the same. I really have no idea about how to solve this problem, the only hint I found in log file is this word: <01m-19s> P0010: Self_Energy parallel ENVIRONMENT is incomplete. Switching to defaults. Does this page (http://www.yambo-code.org/wiki/index.php?title=Using_Yambo_in_parallel) is related to solving this issue? If it is, I resort to a concise guide for the solution 'cause I really have difficulties to make clear this page. I have uploaded the log files to the attachment. Seek help!

Sincerely,

Kan Zhang


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