X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Flbfgs.F;h=dabcbb3a7cc7724e8efc29c5b1d12871bdbcc2fe;hb=c711143ad3fffb04d27b55aa823f399b8343c4c5;hp=9173d45c4a1079795b3832ae70aaafc0219b86e7;hpb=76ef494efde78d2d85d0e72d936c13166961256c;p=unres.git

diff --git a/source/unres/src-HCD-5D/lbfgs.F b/source/unres/src-HCD-5D/lbfgs.F
index 9173d45..dabcbb3 100644
--- a/source/unres/src-HCD-5D/lbfgs.F
+++ b/source/unres/src-HCD-5D/lbfgs.F
@@ -82,6 +82,7 @@ c
       character*240 record
       character*240 string
       external fgvalue,optsave
+      common /lbfgstat/ status,niter,ncalls
 c
 c
 c     initialize some values to be used below
@@ -254,6 +255,7 @@ c     start of a new limited memory BFGS iteration
 c
       do while (.not. done)
          niter = niter + 1
+c         write (jout,*) "LBFGS niter",niter
          muse = min(niter-1,msav)
          m = m + 1
          if (m .gt. msav)  m = 1
@@ -304,7 +306,9 @@ c
 c     perform line search along the new conjugate direction
 c
          status = blank
+c         write (jout,*) "Before search"
          call search (nvar,f,g,x0,p,f_move,angle,ncalls,fgvalue,status)
+c         write (jout,*) "After search"
 c
 c     update variables based on results of this iteration
 c