[QE-users] [SUSPECT ATTACHMENT REMOVED] [QE-GPU] OpenMP is not working with my compilation

[Takahiro Chiba]

Dear experienced users,

I have trouble in utilizing OpenMP with my compilation. From the
output file, pw.x 6.8 recognizes "OMP_NUM_THREADS=2", but it took same
time as "OMP_NUM_THREADS=1", and according to PBS batch queue, only
100% (not 200%) of CPU is used. Therefore, QE 6.8 with GPU is not as
fast as expected.

I used nvidia HPC SDK 20.9, cuda 10.1, and Intel MKL 2021.2. The node
has two Xeon Gold 6248, one Tesla V100 32GB, and 768GB of RAM.
Benchmark results and make.inc are attached as tarball.

Could you please point out my mistake?

---Sender---
Takahiro Chiba
1st-year student at grad. school of chem. sci. and eng., Hokkaido Univ.
Expected graduation date: Mar. 2023
takahiro_chiba at eis.hokudai.ac.jp
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