When restoring restarts try to strip known accelerator suffixes and possibly... (56e86724) · Commits · 郑智淋 / lammps

src/modify.cpp

+2 −2

Original line number	Diff line number	Diff line
		@@ -911,7 +911,7 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)

		for (int i = 0; i < nfix_restart_global; i++)
		if (strcmp(id_restart_global[i],fix[ifix]->id) == 0 &&
		strcmp(style_restart_global[i],fix[ifix]->style) == 0) {
		utils::nosuffixmatch(style_restart_global[i],fix[ifix]->style)) {
		fix[ifix]->restart(state_restart_global[i]);
		used_restart_global[i] = 1;
		if (comm->me == 0) {
		@@ -931,7 +931,7 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)

		for (int i = 0; i < nfix_restart_peratom; i++)
		if (strcmp(id_restart_peratom[i],fix[ifix]->id) == 0 &&
		strcmp(style_restart_peratom[i],fix[ifix]->style) == 0) {
		utils::nosuffixmatch(style_restart_peratom[i],fix[ifix]->style)) {
		used_restart_peratom[i] = 1;
		for (int j = 0; j < atom->nlocal; j++)
		fix[ifix]->unpack_restart(j,index_restart_peratom[i]);

src/read_restart.cpp

+7 −7

Original line number	Diff line number	Diff line
		@@ -856,7 +856,7 @@ void ReadRestart::header(int incompatible)
		// create new AtomVec class using any stored args

		} else if (flag == ATOM_STYLE) {
		char *style = read_string();
		char *style = utils::stripsuffix(read_string());
		int nargcopy = read_int();
		char *argcopy = new char[nargcopy];
		for (int i = 0; i < nargcopy; i++)
		@@ -996,7 +996,7 @@ void ReadRestart::force_fields()
		while (flag >= 0) {

		if (flag == PAIR) {
		style = read_string();
		style = utils::stripsuffix(read_string());
		force->create_pair(style,1);
		delete [] style;
		if (comm->me ==0) {
		@@ -1008,7 +1008,7 @@ void ReadRestart::force_fields()
		force->pair->read_restart(fp);

		} else if (flag == NO_PAIR) {
		style = read_string();
		style = utils::stripsuffix(read_string());
		if (comm->me ==0) {
		if (screen) fprintf(screen," pair style %s stores no "
		"restart info\n", style);
		@@ -1019,7 +1019,7 @@ void ReadRestart::force_fields()
		force->pair_restart = style;

		} else if (flag == BOND) {
		style = read_string();
		style = utils::stripsuffix(read_string());
		force->create_bond(style,1);
		delete [] style;
		if (comm->me ==0) {
		@@ -1031,7 +1031,7 @@ void ReadRestart::force_fields()
		force->bond->read_restart(fp);

		} else if (flag == ANGLE) {
		style = read_string();
		style = utils::stripsuffix(read_string());
		force->create_angle(style,1);
		delete [] style;
		if (comm->me ==0) {
		@@ -1043,7 +1043,7 @@ void ReadRestart::force_fields()
		force->angle->read_restart(fp);

		} else if (flag == DIHEDRAL) {
		style = read_string();
		style = utils::stripsuffix(read_string());
		force->create_dihedral(style,1);
		delete [] style;
		if (comm->me ==0) {
		@@ -1055,7 +1055,7 @@ void ReadRestart::force_fields()
		force->dihedral->read_restart(fp);

		} else if (flag == IMPROPER) {
		style = read_string();
		style = utils::stripsuffix(read_string());
		force->create_improper(style,1);
		delete [] style;
		if (comm->me ==0) {

src/utils.cpp

+53 −0

Original line number	Diff line number	Diff line
		@@ -84,7 +84,60 @@ bool utils::strmatch(std::string text, std::string pattern)
		return (pos >= 0);
		}

		/* duplicate string */
		char utils::strdup(const char in)
		{
		int len = strlen(in)+1;
		char *out = new char[len];
		strcpy(out,in);
		return out;
		}

		/** List of known accelerator suffixes */
		static const char *accelsuffix[] =
		{
		(const char *)"/gpu",
		(const char *)"/intel",
		(const char *)"/kk",
		(const char *)"/omp",
		(const char *)"/opt",
		NULL
		};

		/* Strip known accelertor suffixes from input string */

		char utils::stripsuffix(char style)
		{
		if (style == NULL) return style;

		char *slash = strrchr(style,'/');
		for (int i = 0; accelsuffix[i] != NULL; ++i) {
		if (strcmp(slash,accelsuffix[i]) == 0) {
		*slash = '\0';
		return style;
		}
		}
		return style;
		}

		/** Compare two strings without considering accelerator suffixes
		*
		* We need to work on copies of the strings, since utils::stripsuffix
		* will replace a '/' with a '\0'.
		*/

		bool utils::nosuffixmatch(const char first, const char second)
		{
		char *s1 = utils::stripsuffix(utils::strdup(first));
		char *s2 = utils::stripsuffix(utils::strdup(second));
		bool rv = strcmp(s1,s2) == 0;
		delete[] s1;
		delete[] s2;
		return rv;
		}

		/* utility function to avoid code repetition when parsing args */

		int utils::cfvarg(std::string mode, const char arg, char &cfv_id)
		{
		int rv = utils::NONE;

src/utils.h

+32 −0

Original line number	Diff line number	Diff line
		@@ -28,6 +28,38 @@ namespace LAMMPS_NS {

		namespace utils {

		/** \brief Create a copy of a C-style string
		*
		* \param in input string
		* \return copied string
		*
		* This uses "new" to allocate the storage so it must be
		* deallocated with "delete[]"
		*/
		char strdup(const char in);

		/** \brief Truncate string to remove known accelerator suffixes
		*
		* \param style style name
		* \return style name with possible accelerator suffix removed
		*
		* This modifies the style string passed as an argument to look
		* any known accelerator suffixes like "/gpu", "/intel", "/omp" etc.
		* and replaces the '/' character with a '\0' and returns
		*/
		char stripsuffix(char style);

		/** \brief Compare two strings with suffixes removed
		*
		* \param first style string
		* \param second style string
		* \return true if strings match while ignoring known suffixes, or false
		*
		* This compares two strings with known accelerator suffixes removed
		* before comparing.
		*/
		bool nosuffixmatch(const char first, const char second);

		/** \brief Match text against a simplified regex pattern
		*
		* \param text the text to be matched against the pattern

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