Commit 1e1d767b authored by Alexander Neukirchen's avatar Alexander Neukirchen
Browse files

Add timers at a critical point for ifflinux.

parent 3a25371a
......@@ -1738,14 +1738,21 @@ module m_jpSetupDynMat
! todo we still have to make it band dependent for metals later
write(*, *) 'bug for other systems than neon with more than one atom, also some lines below'
write(*, *) 'why not z1 at nobd(ikpq)?'
! TODO: On iff1483 this takes ages; but why?
! IDEA: Is it the read command?
do ikpt = 1, kpts%nkpt
CALL timestart('Dynmat brakets read z1.')
z1nG = cmplx(0.0, 0.0)
call ReadInz1( atoms, ikpt, iqpt, mapKpq2K(ikpt, iqpt), nobd, nv, z1nG )
CALL timestop('Dynmat brakets read z1.')
CALL timestart('Dynmat brakets calc.')
call AddAlexPulayBraKets2DynMat( fmpi, noco, nococonv, oneD, atoms, input, kpts, qpts, sym, cell, usdus, stars, results, ikpt, iqpt, lmpMax, nRadFunMax, nv, GbasVec, ilst, kveclo, &
& mapKpq2K, nobd, z, z1nG, iloTable, nRadFun, eig, kpq2kPrVec, &
& varphiVarphi, varphiHvarphi, vEff0IR, lmpT, eps1DynMatPulTestSw, testCompTerm3rdBraKetsVarBra, testCompTerm3rdBraKetsVarKet, dynMatPu3rdBraKetHepsSw, &
& dynMatPu )
CALL timestop('Dynmat brakets calc.')
end do ! ikpt
write(*, '(a)') 'Reduced Pulay Braket terms added to dynamical matrix.'
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment