Changeset 38d77eb for anneal.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:

• anneal.f (modified) (3 diffs)

anneal.f

@@ -84 +84 @@
 
       eol=energy()
-      write (*,'(a,e12.5,/)')  'energy of start configuration: ',eol
+      write (logString, '(a,e12.5,/)')  
+     &   'energy of start configuration: ',eol
 
 ! Write start configuration in pdb-format into file
@@ -94 +95 @@
          call metropolis(eol,acz,can_weight)
       end do
-      write(*,*) 'Energy after  equilibration:',eol
+      write (logString, *) 
+     &   'Energy after  equilibration:', eol
 
 !======================Simulation by simulated annealing
@@ -131 +133 @@
 
       acz = acz/dble(nsw*nvr)
-      write(*,*) 'acceptance rate:',acz
-      write(*,*)
+      write (logString, *) 'acceptance rate:',acz
+      write (logString, *)
 ! ------------ Output Dihedreals of final configuration
-      write(*,*) 'last energy',eol
+      write (logString, *) 'last energy',eol
       call outvar(0,' ')
 !     Output final conformation as pdb-file
       call outpdb(0,"final.pdb")
-      write(*,*)
+      write (logString, *)
 
 ! ------------ Output Dihedreals of conformation with lowest energy
-      write(*,*) 'lowest energy ever found:',nemin,ymin
+      write (logString, *) 'lowest energy ever found:',nemin,ymin
       close(14)
 ! =====================