Commit ca3dfbd2 authored by athomps's avatar athomps
Browse files

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
parent 7f306018
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+21 −0
Original line number Diff line number Diff line
@@ -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.




+5 −9
Original line number Diff line number Diff line
@@ -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'
@@ -178,8 +178,4 @@ c---445 is the format for writing atom data to .cfg file------------
          close(9)      



 200     continue   

         stop
          end