Changeset 38d77eb for mulcan_sim.f

Timestamp:

11/19/09 11:29:48 (14 years ago)

Author:

baerbaer <baerbaer@…>

Branches:

master

Children:

7137e5d

Parents:

32289cd

Message:

Redirected standard out to logString.

SMMP produced a lot of log messages. This became an issue when run in massively
parallel environments. I replaced all writes to standard out to a write to logString.
The next step is to pass this string to a function that writes the messages to a log
file according to their importance and the chosen log level.

git-svn-id: ​svn+ssh://svn.berlios.de/svnroot/repos/smmp/trunk@34 26dc1dd8-5c4e-0410-9ffe-d298b4865968

File:

• mulcan_sim.f (modified) (4 diffs)

mulcan_sim.f

@@ -72 +72 @@
        end do
       end do
-      write(*,*) 'Number of contacts in reference conformation:',nci
+      write (logString, *) 'Number of contacts in reference conformation:',nci
 
 ! READ IN FIELDS WITH MULTICANONICAL PARAMETER
@@ -88 +88 @@
         vlvr(iv) = x
        end do
-       write(*,*) 'Last iteration, energy:',nswm,eol_old
+       write (logString, *) 'Last iteration, energy:',nswm,eol_old
       else
 ! _________________________________ random start
@@ -100 +100 @@
 !
       eol = energy()
-      write (*,'(e12.5,/)')  eol
+      write (logString, '(e12.5,/)')  eol
       call contacts(nhy,nhx,dham)
-      write(*,*) 'Number of contacts in start configuration:',nhy
-      write(*,*) 'Number of native contacts in start configuration:',
+      write (logString, *) 'Number of contacts in start configuration:',nhy
+      write (logString, *) 'Number of native contacts in start configuration:',
      &            nhx
       do i=1,nresi
-       write(*,'(62I1)') (ijcont(i,j), j=1,nresi)
-      end do
-      write(*,*)
+       write (logString, '(62I1)') (ijcont(i,j), j=1,nresi)
+      end do
+      write (logString, *)
 !
 
@@ -165 +165 @@
 ! FINAL OUTPUT:
       acz = acz/dble(nsw*nvr)
-      write(*,*) 'last energy',eol
-      write(*,*) 'aczeptance rate:',acz
+      write (logString, *) 'last energy',eol
+      write (logString, *) 'aczeptance rate:',acz
 
 ! WRITE DOWN (UN-REWEIGHTED) HISTOGRAM OF MULTICANONICAL SIMULATION
       do i=kmin,kmax
        if(xhist(i).gt.0.0d0) then
-        write(*,*) i,xhist(i)
+        write (logString, *) i,xhist(i)
        end if
       end do