From: Adam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Date: Fri, 7 Apr 2017 14:33:04 +0000 (+0200)
Subject: turn off histent for wham
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=e64f51efa7130a5e8e2ade165f9a7615e084bba0

turn off histent for wham
---

diff --git a/source/wham/src-M/wham_calc1.F b/source/wham/src-M/wham_calc1.F
index 6372100..6b0903b 100644
--- a/source/wham/src-M/wham_calc1.F
+++ b/source/wham/src-M/wham_calc1.F
@@ -863,16 +863,17 @@ C      if (ientmax.gt.2000) ientmax=2000
       do t=1,scount(me1)
 c        ient=-dlog(entfac(t))-entmin
         ient=entfac(t)-entmin
-        if (ient.le.2000) histent_p(ient)=histent_p(ient)+1
+      write (iout,*) "ient",ient,entfac(t),entmin
+C        if (ient.le.2000) histent_p(ient)=histent_p(ient)+1
       enddo
-      call MPI_Allreduce(histent_p(0),histent(0),ientmax+1,MPI_INTEGER,
-     &  MPI_SUM,WHAM_COMM,IERROR)
-      if (me1.eq.Master) then
-        write (iout,*) "Entropy histogram"
-        do i=0,ientmax
-          write(iout,'(f15.4,i10)') entmin+i,histent(i)
-        enddo
-      endif
+C      call MPI_Allreduce(histent_p(0),histent(0),ientmax+1,MPI_INTEGER,
+C     &  MPI_SUM,WHAM_COMM,IERROR)
+C      if (me1.eq.Master) then
+C        write (iout,*) "Entropy histogram"
+C        do i=0,ientmax
+C          write(iout,'(f15.4,i10)') entmin+i,histent(i)
+C        enddo
+C      endif
 #else
       entmin=1.0d10
       entmax=-1.0d10
@@ -886,14 +887,14 @@ c        ient=-dlog(entfac(t))-entmin
       else
        ientmax=2000
       endif
-      do t=1,ntot(islice)
-        ient=entfac(t)-entmin
-        if (ient.le.2000) histent(ient)=histent(ient)+1
-      enddo
-      write (iout,*) "Entropy histogram"
-      do i=0,ientmax
-        write(iout,'(2f15.4)') entmin+i,histent(i)
-      enddo
+C      do t=1,ntot(islice)
+C        ient=entfac(t)-entmin
+C        if (ient.le.2000) histent(ient)=histent(ient)+1
+C      enddo
+C      write (iout,*) "Entropy histogram"
+C      do i=0,ientmax
+C        write(iout,'(2f15.4)') entmin+i,histent(i)
+C      enddo
 #endif
       
 #ifdef MPI