Describe the bug
When I run cell_unitcell_test_setupcell (in /abacus-develop/build/source/module_cell/test) as unit test, and find it cannot pass. After checking its output "setup_cell.tmp", I believe it has entered an infinite loop, just like:
L=1301590, number of zeta = 1
L=1301591, number of zeta = 1
L=1301592, number of zeta = 1
L=1301593, number of zeta = 1
L=1301594, number of zeta = 1
L=1301595, number of zeta = 1
L=1301596, number of zeta = 1
L=1301597, number of zeta = 1
L=1301598, number of zeta = 1
L=1301599, number of zeta = 1
L=1301600, number of zeta = 1
L=1301601, number of zeta = 1
Same bug is found in cell_unitcell_test_pw (in /abacus-develop/build/source/module_cell/test_pw).
Expected behavior
No response
To Reproduce
No response
Environment
Linux version 5.4.0-86-generic (buildd@lgw01-amd64-041) (gcc version 9.3.0 (Ubuntu 9.3.0-17ubuntu1~20.04))
Intel oneapi 2021.1.1
libxc-5.2.3
elpa-2021.05.002
Additional Context
No response
Describe the bug
When I run cell_unitcell_test_setupcell (in /abacus-develop/build/source/module_cell/test) as unit test, and find it cannot pass. After checking its output "setup_cell.tmp", I believe it has entered an infinite loop, just like:
Same bug is found in cell_unitcell_test_pw (in /abacus-develop/build/source/module_cell/test_pw).
Expected behavior
No response
To Reproduce
No response
Environment
Linux version 5.4.0-86-generic (buildd@lgw01-amd64-041) (gcc version 9.3.0 (Ubuntu 9.3.0-17ubuntu1~20.04))
Intel oneapi 2021.1.1
libxc-5.2.3
elpa-2021.05.002
Additional Context
No response