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by dengtq
Mon Jun 06, 2022 1:23 am
Forum: General discussion
Topic: Possibly inefficient call to ZAXPY and proposed performance enhancement
Replies: 2
Views: 2300

Re: Possibly inefficient call to ZAXPY and proposed performance enhancement

Dear Dr Lee,

Thank you for confirming the fix, and I'm more than glad to contribute.

Attached is my own modified wan2bloch.f90 for your kind reference.

Best Regards,
Tianqi Deng
dengtq@zju.edu.cn
Principal Investigator, HIC and MSE, Zhejiang University
by dengtq
Sun Jun 05, 2022 2:39 am
Forum: General discussion
Topic: Possibly inefficient call to ZAXPY and proposed performance enhancement
Replies: 2
Views: 2300

Possibly inefficient call to ZAXPY and proposed performance enhancement

Dear EPW developers, I would like to report a possibly inefficient call to ZAXPY in subroutine ephwan2blochp (and similarly in ephwan2blochp_mem) in wan2bloch.f90 For example, as of QE-7.0 (similar in QE-7.1rc), in line 1938-1939, for the case of use_ws == .true. and etf_mem == 1: CALL ZAXPY(nrr_k *...