Changeset 38d77eb for canon.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:

• canon.f (modified) (4 diffs)

canon.f

@@ -69 +69 @@
       eol = energy()
       e_min = eol
-      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
@@ -79 +79 @@
          call metropolis(eol,acz,can_weight)
       end do
-      write(*,*) 'Energy after equilibration:',eol
+      write (logString, *) 'Energy after equilibration:',eol
 
 !======================Simulation in canonical ensemble
@@ -86 +86 @@
         call metropolis(eol,acz,can_weight)
         if (eol.lt.e_min) then
-           write (*,*) "New minimum energy:", eol, "t=", nsw
-           write (*,*) eyel,eyhb,eyvr,eysl
+           write (logString, *) "New minimum energy:", eol, "t=", nsw
+           write (logString, *) eyel,eyhb,eyvr,eysl
            e_min = eol
            call outpdb(0, "minen.pdb")
@@ -116 +116 @@
 
       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,'lastconf.var')
 !     Output final conformation as pdb-file