Changeset 38d77eb for mulcan_par_mod.f90

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_par_mod.f90 (modified) (6 diffs)

mulcan_par_mod.f90

@@ -103 +103 @@
 
       eol = energy()
-      write (*,'(a,e12.5,/)')  'Energy of start configuration: ',eol
-      write(*,*)
+      write (logString, '(a,e12.5,/)')  'Energy of start configuration: ',eol
+      write (logString, *)
 
       call outpdb(1, 'start.pdb')
@@ -158 +158 @@
 ! Final output
       acz = acz/dble(nsw*nvr)
-      write(*,*) 'last energy',eol
-      write(*,*) 'acceptance rate:',acz
-
-      write(*,*) 'Histogram:'
+      write (logString, *) 'last energy',eol
+      write (logString, *) 'acceptance rate:',acz
+
+      write (logString, *) 'Histogram:'
       do i=kmin,kmax
        if(xhist(i).gt.0.0d0) then
-        write(*,*) i,xhist(i)
+        write (logString, *) i,xhist(i)
        end if
       end do
@@ -266 +266 @@
        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
@@ -282 +282 @@
         vlvr(iv) = x
        end do
-       write(*,*) 'Last iteration, energy:',nswm,eol_old
+       write (logString, *) 'Last iteration, energy:',nswm,eol_old
       else
 ! _________________________________ random start
@@ -294 +294 @@
 
       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, *)
 
 
@@ -355 +355 @@
 
       acz = acz/dble(nsw*nvr)
-      write(*,*) 'last energy',eol
-      write(*,*) 'acceptance rate:',acz
+      write (logString, *) 'last energy',eol
+      write (logString, *) 'acceptance 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