The wannier90 master version failed to pass the test: tests/testpostw90_pt_kpathbandsshc

[hongyi-zhao]

Hi,

Ubuntu 19.10 + ifort 19.1.0.166 20191121 + imkl. The steps are as follows:

$ git clone https://github.com/wannier-developers/wannier90.git wannier90.git
$ cd wannier90.git
$ module load  parallel_studio_xe/2020.0.088
$ cp config/make.inc.ifort make.inc
$ make all -j24 
$ make tests
tests/testpostw90_pt_kpathbandsshc - Pt.win: **FAILED**.
shc
    ERROR: absolute error 1.08e-02 greater than 1.00e-02. (Test: -8.1625987.  Benchmark: -8.1517891.)
shc
    ERROR: absolute error 1.08e-02 greater than 1.00e-02. (Test: -8.719545.  Benchmark: -8.7303551.)
[...]
All done. ERROR: only 61 out of 62 tests passed.
Failed test in:
	/home/werner/Public/hpc/tools/wannier90.git/test-suite/tests/testpostw90_pt_kpathbandsshc/
make: *** [Makefile:186: test-serial] Error 1

It seems this is only a small absolute error. I'm not sure this is due to the compiler or wannier90's code.

Regards

[qiaojunfeng]

Hi, thanks for the report! This is the same as #269, I will fix this later.