From 4db0193c011005425901cfccf8a0b31a69c3c900 Mon Sep 17 00:00:00 2001 From: giannozz Date: Wed, 31 May 2017 19:50:54 +0000 Subject: [PATCH] Fixes for a serious warning and a compilation error, by Carlo Nervi git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13539 c92efa57-630b-4861-b058-cf58834340f0 --- GWW/pw4gww/o_1psi.f90 | 2 +- GWW/pw4gww/pola_lanczos.f90 | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/GWW/pw4gww/o_1psi.f90 b/GWW/pw4gww/o_1psi.f90 index 660c0fd9c..d97eb9b81 100644 --- a/GWW/pw4gww/o_1psi.f90 +++ b/GWW/pw4gww/o_1psi.f90 @@ -1181,7 +1181,7 @@ END SUBROUTINE o_1psi_gamma_real psi1(ig)=psic(nls(igk_k(ig,1))) enddo - call o_1psi_gamma( numv, v_states, psi1, psi2) + call o_1psi_gamma_real( numv, v_states, psi1, psi2) sca=0.d0 do ig=1,npw sca=sca+2.d0*dble(conjg(psi2(ig))*psi2(ig)) diff --git a/GWW/pw4gww/pola_lanczos.f90 b/GWW/pw4gww/pola_lanczos.f90 index 79724e998..1c2f10a52 100644 --- a/GWW/pw4gww/pola_lanczos.f90 +++ b/GWW/pw4gww/pola_lanczos.f90 @@ -1598,7 +1598,6 @@ end subroutine global_pola_lanczos subroutine orthonormalize_two_manifolds_scalapack( state1, n1,state2, n2, threshold, state_out, n_out) !this subroutine form am orthormal basis set from 2 manifold (with orthonormal basis sets) !ONLY FOR NORM_CONSERVING CASE -#if defined(__SCALAPACK) USE io_global, ONLY : stdout, ionode, ionode_id USE kinds, ONLY : DP @@ -1630,6 +1629,7 @@ subroutine orthonormalize_two_manifolds_scalapack( state1, n1,state2, n2, thresh REAL(kind=DP) :: sca INTEGER :: desc_a(9),desc_b(9) +#if defined(__SCALAPACK) !buid overlap matrix n=n1+n2 n_r=ceiling(real(n)/real(max(nprow,npcol)))