I modified lmp2cfg.f file to eliminate suppression of

helpful I/O error messages. I also added some info to
the README.txt file explaining these messages.



git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@168 f3b2605a-c512-4ea7-a41b-209d697bcdaa

tools/lmp2cfg/README.txt

@@ -61,6 +61,27 @@ You should get several .cfg files. For reading into AtomEye and making
 movies see the AtomEye homepage.
 
 
+If you get an error like:
+
+open: 'new' file exists
+apparent state: unit 21 named 00001.cfg
+lately writing sequential formatted external IO
+Abort
+
+you need to first remove old copies of the cfg files.
+
+If you get an error like:
+
+open: No such file or directory
+apparent state: unit 9 named dump.atom
+last format: list io
+lately reading direct formatted external IO
+Abort
+
+you need to check that the name of the dump file matches the name
+in the input file, and that you enclosed it in single quotes.
+
+
 
 
 

tools/lmp2cfg/lmp2cfg.f

@@ -44,7 +44,7 @@ c          write(*,*) fftype(i)
 c-------Lammps output file is 9, reads in lmps header--------------         
 
          name=inhist(1:4)
-         open(9,file=inhist,status='old',form='formatted',err=999)
+         open(9,file=inhist,status='old',form='formatted')
 c         open(2,status='new',form='formatted')
 
 
@@ -110,12 +110,12 @@ c         write(*,*)ciframe
          write(snapshot,'(i5.5,a4)')iframe,ciframe
 c         write(*,*)snapshot
          open(unit=iframe+20,file=snapshot,status='new',
-     *   form='formatted',err=999)
+     *   form='formatted')
 
           write((iframe+20),'(a22,i7)')'Number of particles = ',natom
           write((iframe+20),'(a1)')'#'
           write((iframe+20),*)
-          write((iframe+20),'(a16)')'A = 1.5 Angstrom'
+          write((iframe+20),'(a16)')'A = 1.0 Angstrom'
           write((iframe+20),'(a1)')'#'
           write((iframe+20),*)
           write((iframe+20),435)'H0(1,1) = ',xcell,' A'
@@ -175,11 +175,7 @@ c---445 is the format for writing atom data to .cfg file------------
           go to 9999
 
  999      continue
-            close(9)      
+          close(9)      
 
 
-
- 200     continue   
-
-         stop
-           end
+          end