qe-gipaw
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Fails to compile with QE 7.3.1
It seems that due to the renaming of the tab
variable to tab_beta
in uspp_data
and successive deletion the compilation of gipaw in qe 7.3.1 fails with the following error
~/Codes/QE/7.3.1-cmake/external/qe-gipaw/src/gipaw_setup.f90:524:36:
524 | USE uspp_data, ONLY : nqx, dq, tab
| 1
Error: Symbol ‘tab’ referenced at (1) not found in module ‘uspp_data’
~/Codes/QE/7.3.1-cmake/external/qe-gipaw/src/gipaw_setup.f90:546:21:
546 | d1 = (tab(2,nb,nt) - tab(1,nb,nt)) / dq
| 1
Error: Expected a right parenthesis in expression at (1)
~/Codes/QE/7.3.1-cmake/external/qe-gipaw/src/gipaw_setup.f90:547:34:
547 | call spline(xdata, tab(:,nb,nt), 0.d0, d1, tab_d2y(:,nb,nt))
| 1
Error: Syntax error in argument list at (1)
~/Codes/QE/7.3.1-cmake/external/qe-gipaw/src/gipaw_setup.f90:536:28:
536 | allocate(tab_d2y, mold=tab)
| 1
Error: Symbol ‘tab’ at (1) has no IMPLICIT type
thank you for pointing out, I'm working on it
Fixed!
Thanks! Just tested compilation+the benzene-USPP
example.
Had to remove the spline_ps
from the scf input but this is a minor thing
Hi,
I'm having a big issue with this; with QE 7.2 Regarding the spline_ps being removed from the scf input; removal of spline_ps will allow the pw.x scf convergence to occur, but then attempting to run gipaw.x fails with/or without spline_ps in the nmr.in tests.
Hi. I don't understand your issues. Are those issues related to qe-7.2? or to qe-7.3.1? can you send me your input/output files? and describe what are you doing in detail. D.