git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10926 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/XTC/dump_xtc.h

@@ -34,7 +34,7 @@ namespace LAMMPS_NS {
 class DumpXTC : public Dump {
  public:
   DumpXTC(class LAMMPS *, int, char**);
-  ~DumpXTC();
+  virtual ~DumpXTC();
 
  private:
   int natoms,ntotal;

src/dump.cpp

@@ -404,7 +404,11 @@ void Dump::openfile()
 #ifdef LAMMPS_GZIP
       char gzip[128];
       sprintf(gzip,"gzip -6 > %s",filecurrent);
+#ifdef _WIN32
+      fp = _popen(gzip,"wb");
+#else
       fp = popen(gzip,"w");
+#endif
 #else
       error->one(FLERR,"Cannot open gzipped file");
 #endif

src/dump.h

@@ -1,4 +1,4 @@
-/* ----------------------------------------------------------------------
+/* -*- c++ -*- ----------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
@@ -149,13 +149,14 @@ integer for dump.
 
 E: Cannot open gzipped file
 
-LAMMPS is attempting to open a gzipped version of the specified file
+LAMMPS was compiled without support for reading and writing gzipped
-but was unsuccessful.  Check that the path and name are correct.
+files through a pipeline to the gzip program with -DLAMMPS_GZIP.
 
 E: Cannot open dump file
 
-The output file for the dump command cannot be opened.  Check that the
+The specified file cannot be opened.  Check that the path and name are
-path and name are correct.
+correct. If the file is a compressed file, also check that the gzip
+executable can be found and run.
 
 E: Illegal ... command
 

src/dump_image.cpp

@@ -33,7 +33,6 @@ using namespace MathConst;
 
 #define BIG 1.0e20
 
-enum{PPM,JPG,PNG};
 enum{NUMERIC,ATOM,TYPE,ELEMENT,ATTRIBUTE};
 enum{STATIC,DYNAMIC};
 enum{NO,YES};
@@ -547,7 +546,10 @@ void DumpImage::write()
     if (filetype == JPG) image->write_JPG(fp);
     else if (filetype == PNG) image->write_PNG(fp);
     else image->write_PPM(fp);
-    fclose(fp);
+    if (multifile) {
+      fclose(fp);
+      fp = NULL;
+    }
   }
 }
 

src/dump_image.h

@@ -1,4 +1,4 @@
-/* ----------------------------------------------------------------------
+/* -*- c++ -*- ----------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
@@ -27,12 +27,14 @@ namespace LAMMPS_NS {
 class DumpImage : public DumpCustom {
  public:
   DumpImage(class LAMMPS *, int, char**);
-  ~DumpImage();
+  virtual ~DumpImage();
   int pack_comm(int, int *, double *, int, int *);
   void unpack_comm(int, int, double *);
 
- private:
+ protected:
   int filetype;
+  enum{PPM,JPG,PNG};
+
   int acolor,adiam;                // what determines color/diam of atoms
   double adiamvalue;               // atom diameter value
   int atomflag,bondflag;           // 0/1 for draw atoms,bonds
@@ -62,7 +64,7 @@ class DumpImage : public DumpCustom {
   double **bufcopy;                // buffer for communicating bond/atom info
   int maxbufcopy;
 
-  void init_style();
+  virtual void init_style();
   int modify_param(int, char **);
   void write();
 
@@ -85,10 +87,14 @@ E: Invalid dump image filename
 The file produced by dump image cannot be binary and must
 be for a single processor.
 
-E: Cannot dump JPG file
+E: Support for writing images in JPEG format not included
 
 LAMMPS was not built with the -DLAMMPS_JPEG switch in the Makefile.
 
+E: Support for writing images in PNG format not included
+
+LAMMPS was not built with the -DLAMMPS_PNG switch in the Makefile.
+
 E: Illegal ... command
 
 Self-explanatory.  Check the input script syntax and compare to the

src/dump_movie.cpp

@@ -0,0 +1,106 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author:  Axel Kohlmeyer (Temple U)
+------------------------------------------------------------------------- */
+
+#include "stdio.h"
+#include "stdlib.h"
+#include "string.h"
+#include "dump_movie.h"
+#include "comm.h"
+#include "force.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+DumpMovie::DumpMovie(LAMMPS *lmp, int narg, char **arg) :
+  DumpImage(lmp, narg, arg)
+{
+  if (multiproc || compressed || multifile)
+    error->all(FLERR,"Invalid dump movie filename");
+
+  filetype = PPM;
+  bitrate = 2000;
+  framerate = 24;
+  fp = NULL;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DumpMovie::openfile()
+{
+  char moviecmd[1024];
+
+  if ((comm->me == 0) && (fp == NULL)) {
+
+#ifdef LAMMPS_FFMPEG
+    sprintf(moviecmd,"ffmpeg -v error -y -r %.2f -f image2pipe -c:v ppm -i - "
+            "-r 24.0 -b:v %dk %s ", framerate, bitrate, filename);
+#else
+    error->one(FLERR,"Cannot generate movie file");
+#endif
+
+#if defined(_WIN32)
+    fp = _popen(moviecmd,"wb");
+#else
+    fp = popen(moviecmd,"w");
+#endif
+
+    if (fp == NULL) {
+      char str[128];
+      sprintf(str,"Failed to open FFmpeg pipeline to file %s",filename);
+      error->one(FLERR,str);
+    }
+  }
+}
+/* ---------------------------------------------------------------------- */
+
+void DumpMovie::init_style()
+{
+  // initialize image style circumventing multifile check
+
+  multifile = 1;
+  DumpImage::init_style();
+  multifile = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int DumpMovie::modify_param(int narg, char **arg)
+{
+  int n = DumpImage::modify_param(narg,arg);
+  if (n) return n;
+
+  if (strcmp(arg[0],"bitrate") == 0) {
+    if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
+    bitrate = force->inumeric(FLERR,arg[1]);
+    if (bitrate <= 0.0) error->all(FLERR,"Illegal dump_modify command");
+    return 2;
+  }
+
+  if (strcmp(arg[0],"framerate") == 0) {
+    if (narg < 2) error->all(FLERR,"Illegal dump_modify command");
+    framerate = force->numeric(FLERR,arg[1]);
+    if ((framerate <= 0.1) || (framerate > 24.0))
+      error->all(FLERR,"Illegal dump_modify framerate command");
+    return 2;
+  }
+
+  return 0;
+}
+

src/dump_movie.h

@@ -0,0 +1,73 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef DUMP_CLASS
+
+DumpStyle(movie,DumpMovie)
+
+#else
+
+#ifndef LMP_DUMP_MOVIE_H
+#define LMP_DUMP_MOVIE_H
+
+#include "dump_image.h"
+
+namespace LAMMPS_NS {
+
+class DumpMovie : public DumpImage {
+ public:
+  DumpMovie(LAMMPS *, int, char**);
+
+  virtual void openfile();
+  virtual void init_style();
+  virtual int modify_param(int, char **);
+
+ protected:
+  double framerate;             // frame rate of animation
+  int bitrate;                  // bitrate of video file in kbps
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Invalid dump movie filename
+
+The file produced by dump movie cannot be binary or compressed
+and must be a single file for a single processor.
+
+E: Cannot generate movie file
+
+LAMMPS was built without the -DLAMMPS_FFMPEG switch in the Makefile
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: pipe:: Input/output error
+
+Harmless. This happens when the pipeline to FFmpeg is closed and no
+more image data is sent to be appended to the movie. FFmpeg will 
+simply terminate and close the movie file.
+
+E: Failed to open FFmpeg pipeline to file %s
+
+The specified file cannot be opened.  Check that the path and name are
+correct and writable and that the FFmpeg executable can be found and run.
+
+*/

src/fix_tmd.cpp

@@ -393,7 +393,7 @@ void FixTMD::readfile(char *file)
   int nlocal = atom->nlocal;
 
   char *buffer = new char[CHUNK*MAXLINE];
-  char *ptr,*next,*bufptr;
+  char *next,*bufptr;
   int i,m,nlines,tag,imageflag,ix,iy,iz;
   double x,y,z,xprd,yprd,zprd;
 
@@ -518,8 +518,14 @@ void FixTMD::open(char *file)
   else {
 #ifdef LAMMPS_GZIP
     char gunzip[128];
-    sprintf(gunzip,"gunzip -c %s",file);
+    sprintf(gunzip,"gzip -c -d %s",file);
+
+#ifdef _WIN32
+    fp = _popen(gunzip,"rb");
+#else
     fp = popen(gunzip,"r");
+#endif
+
 #else
     error->one(FLERR,"Cannot open gzipped file");
 #endif

src/fix_tmd.h

@@ -1,4 +1,4 @@
-/* ----------------------------------------------------------------------
+/* -*- c++ -*- ----------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
@@ -98,12 +98,13 @@ fix group.
 
 E: Cannot open gzipped file
 
-LAMMPS is attempting to open a gzipped version of the specified file
+LAMMPS was compiled without support for reading and writing gzipped
-but was unsuccessful.  Check that the path and name are correct.
+files through a pipeline to the gzip program with -DLAMMPS_GZIP.
 
 E: Cannot open file %s
 
 The specified file cannot be opened.  Check that the path and name are
-correct.
+correct. If the file is a compressed file, also check that the gzip
+executable can be found and run.
 
 */

src/reader.cpp

@@ -41,8 +41,14 @@ void Reader::open_file(const char *file)
   else {
 #ifdef LAMMPS_GZIP
     char gunzip[1024];
-    sprintf(gunzip,"gunzip -c %s",file);
+    sprintf(gunzip,"gzip -c -d %s",file);
+
+#ifdef _WIN32
+    fp = _popen(gunzip,"rb");
+#else
     fp = popen(gunzip,"r");
+#endif
+
 #else
     error->one(FLERR,"Cannot open gzipped file");
 #endif

src/reader.h

@@ -49,12 +49,13 @@ class Reader : protected Pointers {
 
 E: Cannot open gzipped file
 
-LAMMPS is attempting to open a gzipped version of the specified file
+LAMMPS was compiled without support for reading and writing gzipped
-but was unsuccessful.  Check that the path and name are correct.
+files through a pipeline to the gzip program with -DLAMMPS_GZIP.
 
 E: Cannot open file %s
 
 The specified file cannot be opened.  Check that the path and name are
-correct.
+correct. If the file is a compressed file, also check that the gzip
+executable can be found and run.
 
 */