trace fock_xc calls

nwchemgit · Aug 3, 2023 · c1724dc · c1724dc
1 parent 2f2ba3e
commit c1724dc
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Showing 2 changed files with 6 additions and 2 deletions.
diff --git a/src/ddscf/fock_xc.F b/src/ddscf/fock_xc.F
@@ -64,7 +64,7 @@ subroutine fock_xc(geom, nbf_ao, ao_bas_han,
       integer dims(3),chunk(3)
       integer igxcd,lgxcd
       integer xc_getipol
-      logical oprint, debug
+      logical oprint, debug, oprint_trace
       integer alo(3), ahi(3), blo(3), bhi(3)
       integer nfock_xc,i
       integer ityp, ndim
@@ -77,6 +77,7 @@ subroutine fock_xc(geom, nbf_ao, ao_bas_han,
 c
       if(.not.xc_gotxc()) return
       oprint= util_print('fock_xc',print_debug)
+      oprint_trace= util_print('fock_xc_trace',print_debug)
 
 c ... jochen: 
       debug = .false.
@@ -110,6 +111,7 @@ subroutine fock_xc(geom, nbf_ao, ao_bas_han,
      &      write(luout,*)' fockxc: calc_type not set: setting to 1'
          calc_type = 1
       endif
+      if(ga_nodeid().eq.0) write(6,*) ' fock_xc: ctype ',calc_type
 c
 c     == need a better solution for this == NXG
 c Daniel (2-16-13): This line of code is VERY dangerous.  It caused 

diff --git a/src/ddscf/fock_xc_dm3d.F b/src/ddscf/fock_xc_dm3d.F
@@ -64,7 +64,7 @@ subroutine fock_xc_dm3d(geom, nbf_ao, ao_bas_han,
       integer dims(3),chunk(3)
       integer igxcd,lgxcd
       integer xc_getipol
-      logical oprint, debug
+      logical oprint, debug, oprint_trace
       integer alo(3), ahi(3), blo(3), bhi(3)
       integer nfock_xc,i
       integer ityp, ndim
@@ -79,6 +79,7 @@ subroutine fock_xc_dm3d(geom, nbf_ao, ao_bas_han,
 c
       if(.not.xc_gotxc()) return
       oprint= util_print('fock_xc',print_debug)
+      oprint_trace= util_print('fock_xc_trace',print_debug)
 
 c ... jochen: 
       debug = .false.
@@ -112,6 +113,7 @@ subroutine fock_xc_dm3d(geom, nbf_ao, ao_bas_han,
      &      write(luout,*)' fockxc: calc_type not set: setting to 1'
          calc_type = 1
       endif
+      if(ga_nodeid().eq.0) write(6,*) ' fock_xcd3d: ctype ',calc_type
 c
 c     == need a better solution for this == NXG
 c Daniel (2-16-13): This line of code is VERY dangerous.  It caused