From 103133eabc0fabe7b35765e85ab27207eff415b1 Mon Sep 17 00:00:00 2001 From: Eric Bylaska Date: Wed, 1 Nov 2023 08:29:01 -0700 Subject: [PATCH] ...EJB --- src/nwpw/nwpwlib/D1dB/Dne.F | 1 + src/nwpw/nwpwlib/DMatrix/DMatrix-mpi.F | 1 + src/nwpw/pspw/lib/electron/psi_H.F | 2 -- 3 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/nwpw/nwpwlib/D1dB/Dne.F b/src/nwpw/nwpwlib/D1dB/Dne.F index 44c7617a93..adb17bbc75 100644 --- a/src/nwpw/nwpwlib/D1dB/Dne.F +++ b/src/nwpw/nwpwlib/D1dB/Dne.F @@ -964,6 +964,7 @@ c call Pack_npack(1,npack1) else c call Dneall_m_scatter(mpack(mb),int_mb(mindx(1,mb)), c > hml,dbl_mb(mat_tmp(1))) + do ms=ms1,ms2 shift = 1 + (ms-1)*neq(1)*npack1 c shift2 = (ms-1)*ishift2 diff --git a/src/nwpw/nwpwlib/DMatrix/DMatrix-mpi.F b/src/nwpw/nwpwlib/DMatrix/DMatrix-mpi.F index 8c4f33c7bd..60e3ee8879 100644 --- a/src/nwpw/nwpwlib/DMatrix/DMatrix-mpi.F +++ b/src/nwpw/nwpwlib/DMatrix/DMatrix-mpi.F @@ -68,6 +68,7 @@ c real*8 B(ldb,*) integer request1(4),request2(4) integer bshift2(0:np_j) + bshift = 1 bshift2(0) = 1 do jj=1,np_j diff --git a/src/nwpw/pspw/lib/electron/psi_H.F b/src/nwpw/pspw/lib/electron/psi_H.F index 5a40902a29..ea9da37b48 100644 --- a/src/nwpw/pspw/lib/electron/psi_H.F +++ b/src/nwpw/pspw/lib/electron/psi_H.F @@ -211,8 +211,6 @@ c > call D3dB_rr_Sum(1,dcpl_mb(vall(1)),v_field,dcpl_mb(vall(1))) * **** Hpsi_k = Hpsi_k + FFT[vall_r+xcp)*psi_r +Vsic*psi_r] **** * ************************************************************** - - indx1 = 1 indx2 = 1 done = .false.