Merge pull request #907 from akohlmey/dump_maxfile (ca6920be) · Commits · 郑智淋 / lammps

doc/src/dump_modify.txt

+18 −1

Original line number	Diff line number	Diff line
		@@ -15,7 +15,7 @@ dump_modify dump-ID keyword values ... :pre
		dump-ID = ID of dump to modify :ulb,l
		one or more keyword/value pairs may be appended :l
		these keywords apply to various dump styles :l
		keyword = {append} or {at} or {buffer} or {delay} or {element} or {every} or {fileper} or {first} or {flush} or {format} or {image} or {label} or {nfile} or {pad} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l
		keyword = {append} or {at} or {buffer} or {delay} or {element} or {every} or {fileper} or {first} or {flush} or {format} or {image} or {label} or {maxfiles} or {nfile} or {pad} or {precision} or {region} or {scale} or {sort} or {thresh} or {unwrap} :l
		{append} arg = {yes} or {no}
		{at} arg = N
		N = index of frame written upon first dump
		@@ -37,6 +37,8 @@ keyword = {append} or {at} or {buffer} or {delay} or {element} or {every} or {fi
		{image} arg = {yes} or {no}
		{label} arg = string
		string = character string (e.g. BONDS) to use in header of dump local file
		{maxfiles} arg = Fmax
		Fmax = keep only the most recent {Fmax} snapshots (one snapshot per file)
		{nfile} arg = Nf
		Nf = write this many files, one from each of Nf processors
		{pad} arg = Nchar = # of characters to convert timestep to
		@@ -364,6 +366,20 @@ e.g. BONDS or ANGLES.

		:line

		The {maxfiles} keyword can only be used when a '*' wildcard is
		included in the dump file name, i.e. when writing a new file(s) for
		each snapshot. The specified {Fmax} is how many snapshots will be
		kept. Once this number is reached, the file(s) containing the oldest
		snapshot is deleted before a new dump file is written. If the
		specified {Fmax} <= 0, then all files are retained.

		This can be useful for debugging, especially if you don't know on what
		timestep something bad will happen, e.g. when LAMMPS will exit with an
		error. You can dump every timestep, and limit the number of dump
		files produced, even if you run for 1000s of steps.

		:line

		The {nfile} or {fileper} keywords can be used in conjunction with the
		"%" wildcard character in the specified dump file name, for all dump
		styles except the {dcd}, {image}, {movie}, {xtc}, and {xyz} styles
		@@ -901,6 +917,7 @@ flush = yes
		format = %d and %g for each integer or floating point value
		image = no
		label = ENTRIES
		maxifiles = -1
		nfile = 1
		pad = 0
		pbc = no

lib/atc/Function.cpp

+10 −0

Original line number	Diff line number	Diff line
		#ifndef _WIN32
		#include <alloca.h>
		#endif
		#include "Function.h"
		#include "ATC_Error.h"
		#include "LammpsInterface.h"
		@@ -59,7 +61,11 @@ namespace ATC {
		{
		string type = args[0];
		int narg = nargs -1;
		#ifdef _WIN32
		double dargs = (double ) _alloca(sizeof(double) * narg);
		#endif
		double dargs = (double ) alloca(sizeof(double) * narg);
		#endif
		for (int i = 0; i < narg; ++i) dargs[i] = atof(args[i+1]);

		return function(type, narg, dargs);
		@@ -193,7 +199,11 @@ XT_Function_Mgr * XT_Function_Mgr::myInstance_ = NULL;
		{
		string type = args[0];
		int narg = nargs -1;
		#ifdef _WIN32
		double dargs = (double ) _alloca(sizeof(double) * narg);
		#else
		double dargs = (double ) alloca(sizeof(double) * narg);
		#endif
		for (int i = 0; i < narg; ++i) dargs[i] = atof(args[i+1]);

		return function(type, narg, dargs);

src/COMPRESS/dump_atom_gz.cpp

+13 −0

Original line number	Diff line number	Diff line
		@@ -71,6 +71,19 @@ void DumpAtomGZ::openfile()
		sprintf(filecurrent,pad,filestar,update->ntimestep,ptr+1);
		}
		ptr = '';
		if (maxfiles > 0) {
		if (numfiles < maxfiles) {
		nameslist[numfiles] = new char[strlen(filecurrent)+1];
		strcpy(nameslist[numfiles],filecurrent);
		++numfiles;
		} else {
		remove(nameslist[fileidx]);
		delete[] nameslist[fileidx];
		nameslist[fileidx] = new char[strlen(filecurrent)+1];
		strcpy(nameslist[fileidx],filecurrent);
		fileidx = (fileidx + 1) % maxfiles;
		}
		}
		}

		// each proc with filewriter = 1 opens a file

src/COMPRESS/dump_cfg_gz.cpp

+13 −0

Original line number	Diff line number	Diff line
		@@ -75,6 +75,19 @@ void DumpCFGGZ::openfile()
		sprintf(filecurrent,pad,filestar,update->ntimestep,ptr+1);
		}
		ptr = '';
		if (maxfiles > 0) {
		if (numfiles < maxfiles) {
		nameslist[numfiles] = new char[strlen(filecurrent)+1];
		strcpy(nameslist[numfiles],filecurrent);
		++numfiles;
		} else {
		remove(nameslist[fileidx]);
		delete[] nameslist[fileidx];
		nameslist[fileidx] = new char[strlen(filecurrent)+1];
		strcpy(nameslist[fileidx],filecurrent);
		fileidx = (fileidx + 1) % maxfiles;
		}
		}
		}

		// each proc with filewriter = 1 opens a file

src/COMPRESS/dump_custom_gz.cpp

+13 −0

Original line number	Diff line number	Diff line
		@@ -73,6 +73,19 @@ void DumpCustomGZ::openfile()
		sprintf(filecurrent,pad,filestar,update->ntimestep,ptr+1);
		}
		ptr = '';
		if (maxfiles > 0) {
		if (numfiles < maxfiles) {
		nameslist[numfiles] = new char[strlen(filecurrent)+1];
		strcpy(nameslist[numfiles],filecurrent);
		++numfiles;
		} else {
		remove(nameslist[fileidx]);
		delete[] nameslist[fileidx];
		nameslist[fileidx] = new char[strlen(filecurrent)+1];
		strcpy(nameslist[fileidx],filecurrent);
		fileidx = (fileidx + 1) % maxfiles;
		}
		}
		}

		// each proc with filewriter = 1 opens a file

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