X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fregularize.f90;h=70214b7085344e52c6dff5454d237b4d20dcb929;hb=9978233a8f362a38c9d5929a421ac612aed6bf7e;hp=061cf44668a860e36c2b84a787c87f4b43a2a89c;hpb=35f220f409bd5d21be33a402d79da2c23d3e0c3a;p=unres4.git

diff --git a/source/unres/regularize.f90 b/source/unres/regularize.f90
index 061cf44..70214b7 100644
--- a/source/unres/regularize.f90
+++ b/source/unres/regularize.f90
@@ -3,12 +3,12 @@
       use io_units
       use geometry_data
       use energy_data
-#ifndef WHAM_RUN
+#if .not. defined WHAM_RUN && .not. defined CLUSTER
       use minim_data, only: maxfun,rtolf
 #endif
       implicit none
       contains
-#ifndef WHAM_RUN
+#if .not. defined WHAM_RUN && .not. defined CLUSTER
 !-----------------------------------------------------------------------------
 ! regularize.F
 !-----------------------------------------------------------------------------
@@ -45,6 +45,7 @@
        ' nstart_seq=',nstart_seq,' nstart_sup',nstart_sup
       write (iout,'(/a/)') 'Initial energies:'
       call geom_to_var(nvar,varia)
+      write(iout,*) 'Warning: Calling chainbuild'
       call chainbuild
       call etotal(energia)
       etot=energia(0)
@@ -487,7 +488,7 @@
    10 c(i,j)=c(i,j)+a(i,k)*b(k,j)                                        
       return
       end subroutine mmmul
-#ifndef WHAM_RUN
+#if .not. defined WHAM_RUN || .not. defined CLUSTER
 !-----------------------------------------------------------------------------
       subroutine matvec(uvec,tmat,pvec,nback)