Changeset 38d77eb for rmsdfun.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:

• rmsdfun.f (modified) (4 diffs)

rmsdfun.f

@@ -82 +82 @@
 
       if (nml.lt.1.or.nml.gt.ntlml) then
-        write(*,*) ' rmsdopt>  Sorry, there is no molecule #',nml
+        write (logString, *) ' rmsdopt>  Sorry, there is no molecule #',
+     &     nml
         stop
       endif
@@ -137 +138 @@
 
       if (n.lt.3) then
-        write(*,*) ' rmsdopt>  <3 atoms selected !'
+        write (logString, *) ' rmsdopt>  <3 atoms selected !'
         stop
       endif
@@ -290 +291 @@
       integer n,nrot,i,ip,iq,j
 
-
+      character(255) logString
       real*8 a(n,n),d(n),v(n,n),
      &       c,g,h,s,sm,t,tau,theta,tresh,b(NMAX),z(NMAX),smeps
@@ -403 +404 @@
       enddo
 
-      write(*,*) ' jacobi> too many iterations'
+      write (logString, *) ' jacobi> too many iterations'
       stop