From a78eaf24b29de4b94b0f322c5a5848c36db46bb7 Mon Sep 17 00:00:00 2001 From: edoapra Date: Thu, 20 Oct 2022 16:13:57 -0700 Subject: [PATCH] reduce output for NAMD HAM https://github.com/nwchemgit/nwchem/issues/671 --- src/qmd/qmd_coup.F | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/src/qmd/qmd_coup.F b/src/qmd/qmd_coup.F index b5cebe0d8b..0e6a11ea79 100644 --- a/src/qmd/qmd_coup.F +++ b/src/qmd/qmd_coup.F @@ -207,10 +207,15 @@ c double precision scr_ci1, scr_ci2 double precision scr_co c + logical oprint_ham character*30 pname c c preliminaries pname='qmd_tddft_coup: ' +c +c print +c + oprint_ham = util_print('ham', print_high).and.ga_nodeid().eq.0 c inntsize=MA_sizeof(MT_INT,1,MT_BYTE) nvir=(nmo-nocc) @@ -503,7 +508,7 @@ c c call ga_sync() coup(:,:)=coup(:,:)/(2.d0*dt) - if (ga_nodeid().eq.0) then + if (oprint_ham) then write(*,*) 'HAM' do jstate=1,nstates do istate=1,nstates