From ca3dfbd2174fb72799a91d21a6f66cb751fabdec Mon Sep 17 00:00:00 2001
From: athomps <athomps@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Wed, 22 Nov 2006 22:45:59 +0000
Subject: [PATCH] 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 | 21 +++++++++++++++++++++
tools/lmp2cfg/lmp2cfg.f | 14 +++++---------
2 files changed, 26 insertions(+), 9 deletions(-)
diff --git a/tools/lmp2cfg/README.txt b/tools/lmp2cfg/README.txt
index cada1be986..b9ecd4af42 100755
--- a/tools/lmp2cfg/README.txt
+++ b/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.
+
+
diff --git a/tools/lmp2cfg/lmp2cfg.f b/tools/lmp2cfg/lmp2cfg.f
index 9255e7d7bc..41e89fc784 100755
--- a/tools/lmp2cfg/lmp2cfg.f
+++ b/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
--
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