The Yambo version I use is Yambo 4.5.0. I try to use parallel calculation for HF. The input file is edited as below:
There are several output files and report files rather than one output file and one report file. All the output file are the same. And the information relative to core allocated in one of report file:HF_and_locXC # [R XX] Hartree-Fock Self-energy and Vxc
NLogCPUs=0 # [PARALLEL] Live-timing CPU`s (0 for all)
FFTGvecs= 14 Ry # [FFT] Plane-waves
PAR_def_mode= "balanced" # [PARALLEL] Default distribution mode ("balanced"/"memory"/"workload")
SE_CPU= "1 1 8" # [PARALLEL] CPUs for each role
SE_ROLEs= "q qp b" # [PARALLEL] CPUs roles (q,qp,b)
EXXRLvcs= 20 Ry # [XX] Exchange RL components
VXCRLvcs= 10 Ry # [XC] XCpotential RL components
%QPkrange # # [GW] QP generalized Kpoint/Band indices
1|1|256|257|
Is that means although I aske for 8 core (also in the Scheduler for HPC), the code still do serial calculation on 8 core separately? In other word, I do the calculation 8 times in which only one core used for calculation. Is my guess correct? I attach the 'config.log' file, and hope it will do some help for solving my problem. Thank you.[01] CPU structure, Files & I/O Directories
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* CPU : 1
* THREADS (max): 1
* THREADS TOT(max): 1
* I/O NODES : 1
* NODES(computing): 1
* (I/O): 1
* Fragmented WFs : yes
CORE databases in .
Additional I/O in .
Communications in .
Input file is hf.in
Report file is ./r-HF_20Ry_HF_and_locXC_40
Precision is SINGLE
Log files in ./LOG
Job string(s)-dir(s) (main): HF_20Ry
