From 24c1c859a6fbf13efbcfaca7f339f4e2a03c6ab8 Mon Sep 17 00:00:00 2001 From: Paolo Giannozzi Date: Thu, 22 Apr 2021 14:03:14 +0200 Subject: [PATCH] Missing mill_d update --- PW/src/read_file_new.f90 | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/PW/src/read_file_new.f90 b/PW/src/read_file_new.f90 index 76a05e0bc..4662c0922 100644 --- a/PW/src/read_file_new.f90 +++ b/PW/src/read_file_new.f90 @@ -158,8 +158,8 @@ SUBROUTINE post_xml_init ( ) USE ions_base, ONLY : nat, nsp, tau, ityp USE cell_base, ONLY : omega USE recvec_subs, ONLY : ggen, ggens - USE gvect, ONLY : ecutrho, gg, ngm, g, gcutm, mill, ngm_g, ig_l2g, & - eigts1, eigts2, eigts3, gstart, gshells + USE gvect, ONLY : ecutrho, gg, ngm, g, gcutm, mill, mill_d, & + ngm_g, ig_l2g, eigts1, eigts2, eigts3, gstart, gshells USE gvecs, ONLY : ngms, gcutms USE gvecw, ONLY : ecutwfc USE fft_rho, ONLY : rho_g2r @@ -215,6 +215,10 @@ SUBROUTINE post_xml_init ( ) CALL allocate_fft() CALL ggen ( dfftp, gamma_only, at, bg, gcutm, ngm_g, ngm, & g, gg, mill, ig_l2g, gstart ) +#if defined(__CUDA) + ! FIXME: to be moved inside ggen + mill_d = mill +#endif CALL ggens( dffts, gamma_only, at, g, gg, mill, gcutms, ngms ) CALL gshells ( lmovecell ) !