Changeset 38d77eb for setmvs.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:

• setmvs.f (modified) (10 diffs)

setmvs.f

@@ -77 +77 @@
 
       if (ntlvr.eq.0) then
-        write (*,'(a,i4)')
+        write (logString, '(a,i4)')
      &           ' setmvs> No variables defined in molecule #',nml
         nmsml(nml)=0
@@ -176 +176 @@
               if (i1.ne.0) then  ! combine ranges
                 if (j.gt.(i2+1).or.k.lt.(i1-1)) then
-                  write (*,'(3a,/,2a,i4,a,i3)') 
+                  write (logString, '(3a,/,2a,i4,a,i3)') 
      &             ' setmvs> Cannot combine disjunct ranges of atom',
      &             ' indices for torsion ',nmvr(iv),' in residue ',
@@ -198 +198 @@
 
         if ((nms+1).gt.mxms) then
-          write (*,'(a,i4,a,i5)') ' setmvs> Molecule # ',nml,
+          write (logString, '(a,i4,a,i5)') ' setmvs> Molecule # ',nml,
      &    ': Number of moving sets > ',mxms
           stop
@@ -231 +231 @@
                   nms=nms+1
                   if (nms.gt.mxms) then
-                    write (*,'(a,i4,a,i5)') ' setmvs> Molecule # ',
+                    write (logString, '(a,i4,a,i5)') 
+     &                ' setmvs> Molecule # ',
      &               nml,': Number of moving sets > ',mxms
                      stop
@@ -320 +321 @@
             nad=nad+1
             if (nad.gt.mxvr) then
-              write (*,'(a,i4,a,i5)') ' setmvs> Molecule # ',nml,
+              write (logString, '(a,i4,a,i5)') ' setmvs> Molecule # ',
+     &                         nml,
      &                         ': Number of added variables > ',mxvr
               stop
@@ -335 +337 @@
                 nad=nad+1
                 if (nad.gt.mxvr) then
-                  write (*,'(a,i4,a,i5)') ' setmvs> Molecule # ',nml,
+                  write (logString, '(a,i4,a,i5)') 
+     &                         ' setmvs> Molecule # ',nml,
      &                         ': Number of added variables > ',mxvr
                   stop
@@ -349 +352 @@
               nad=nad+1
               if (nad.gt.mxvr) then
-                write (*,'(a,i4,a,i5)') ' setmvs> Molecule # ',nml,
+                write (logString, '(a,i4,a,i5)') ' setmvs> Molecule # ',
+     &                       nml,
      &                       ': Number of added variables > ',mxvr
                 stop
@@ -375 +379 @@
 !            i2=latms2(i)
 !            if (i.eq.i1s) then
-!              write (*,'(a,i3,7a,i4,3a,i4,a)') 'res # ',nursvr(iv),
+!              write (logString, '(a,i3,7a,i4,3a,i4,a)') 'res # ',nursvr(iv),
 !     #        ' var: ',nmvr(iv),' base:',nmat(ib),'    atoms= ',
 !     #        nmat(i1),'(',i1,') - ',nmat(i2),'(',i2,')'
 !            else
-!              write (*,'(39x,2a,i4,3a,i4,a)')
+!              write (logString, '(39x,2a,i4,3a,i4,a)')
 !     #        nmat(i1),'(',i1,') - ',nmat(i2),'(',i2,')'
 !            endif
 !          enddo
 !        else
-!          write (*,'(a,i3,5a)') 'res # ',nursvr(iv),
+!          write (logString, '(a,i3,5a)') 'res # ',nursvr(iv),
 !     #    ' var: ',nmvr(iv),' base:',nmat(ib),'  No atoms'
 !        endif
@@ -390 +394 @@
 !        i2a=iadvr2(iv)
 !        if (i1a.le.i2a) then
-!          write (*,'(a,30(1x,a))') ' Depending variables:',
+!          write (logString, '(a,30(1x,a))') ' Depending variables:',
 !     #                    (nmvr(ladvr(i)),i=i1a,i2a)
 !        else
-!          write (*,'(a)') ' No dep. variables'
+!          write (logString, '(a)') ' No dep. variables'
 !        endif
 !      enddo
@@ -400 +404 @@
       return
 
-    6 write (*,'(a,i4,/,2(a,i5),a)') 
+    6 write (logString, '(a,i4,/,2(a,i5),a)') 
      & ' setmvs> Error in atom numbering of molecule # ',nml,
      & ': atom ranges for variables # ',iv,' and # ',jv,