eliminate variable length arrays from AtC lib for C++ standard compliance (104dde27) · Commits · 郑智淋 / lammps

lib/atc/ATC_Method.cpp

+8 −4

Original line number	Diff line number	Diff line
		@@ -2015,8 +2015,8 @@ pecified
		LammpsInterface::instance()->int_allmax(&send_size,&max_size);

		if (comm_rank == 0) {
		int intbuf[max_size];
		double buf[max_size];
		int *intbuf = new int[max_size];
		double *buf = new double[max_size];
		for (int iproc = 1; iproc < nprocs; iproc++) {
		LammpsInterface::instance()->int_recv(intbuf,max_size,iproc);
		LammpsInterface::instance()->recv(buf,max_size,iproc);
		@@ -2024,15 +2024,19 @@ pecified
		out << intbuf[i] << " " << buf[i] << "\n";
		}
		}
		delete[] intbuf;
		delete[] buf;
		} else {
		int intbuf[send_size];
		double buf[send_size];
		int *intbuf = new int[send_size];
		double *buf = new double[send_size];
		for (int i = 0; i < send_size; i++) {
		intbuf[i] = id2tag[i];
		buf[i] = atomicVolumeMatrix(i,i);
		}
		LammpsInterface::instance()->int_send(intbuf,send_size);
		LammpsInterface::instance()->send(buf,send_size);
		delete[] intbuf;
		delete[] buf;
		}
		}

+8 −3

Original line number	Diff line number	Diff line
		@@ -352,8 +352,9 @@ namespace ATC{
		// each segment of the piecewise funcion is length-normalized separately
		else if (strcmp(arg[argIdx],"position-number-density")==0) {
		argIdx++;
		double y[nx],w[nx];
		int n[nx];
		double *y = new double[nx];
		double *w = new double[nx];
		int *n = new int[nx];
		int nn = 0;
		while (argIdx < narg) {
		if (! is_numeric(arg[argIdx])) break;
		@@ -369,7 +370,7 @@ namespace ATC{
		double w0 = w[i-1];
		double dw = w[i]-w0;
		double lx = 0;
		double l[dn];
		double *l = new double[dn];
		for (int j = 0; j < dn; ++j) {
		double x = (j+0.5)/dn;
		double dl = w0+x*dw;
		@@ -380,7 +381,11 @@ namespace ATC{
		for (int j = 0; j < dn; ++j) {
		dx(k++) = scale*l[j];
		}
		delete[] l;
		}
		delete[] y;
		delete[] w;
		delete[] n;
		}
		// construct relative values from a density function
		// evaluate for a domain (0,1)

+3 −2

Original line number	Diff line number	Diff line
		#include <alloca.h>
		#include "Function.h"
		#include "ATC_Error.h"
		#include "LammpsInterface.h"
		@@ -58,7 +59,7 @@ namespace ATC {
		{
		string type = args[0];
		int narg = nargs -1;
		double dargs[narg];
		double dargs = alloca(sizeof(double) narg);
		for (int i = 0; i < narg; ++i) dargs[i] = atof(args[i+1]);

		return function(type, narg, dargs);
		@@ -192,7 +193,7 @@ XT_Function_Mgr * XT_Function_Mgr::myInstance_ = NULL;
		{
		string type = args[0];
		int narg = nargs -1;
		double dargs[narg];
		double dargs = alloca(sizeof(double) narg);
		for (int i = 0; i < narg; ++i) dargs[i] = atof(args[i+1]);

		return function(type, narg, dargs);

+10 −6

Original line number	Diff line number	Diff line
		@@ -131,15 +131,15 @@ void LammpsInterface::sparse_allsum(SparseMatrix<double> &toShare) const
		if (error != MPI_SUCCESS) throw ATC_Error("error in sparse_allsum_numrows "+to_string(error));

		// adjust row sendcounts because recRowsCRS is off by one
		int rowCounts[nProcs];
		int sizeCounts[nProcs];
		int *rowCounts = new int[nProcs];
		int *sizeCounts = new int[nProcs];
		// set up total size of receive buffers for Allgatherv calls
		int totalRowsCRS = 0;
		int totalSize = 0;
		// set up array of displacements for Allgatherv calls
		int rowOffsets[nProcs];
		int *rowOffsets = new int[nProcs];
		rowOffsets[0] = 0;
		int sizeOffsets[nProcs];
		int *sizeOffsets = new int[nProcs];
		sizeOffsets[0] = 0;
		for (int i = 0; i < nProcs; i++) {
		// find the total number of entries to share in the mpi calls below
		@@ -156,8 +156,8 @@ void LammpsInterface::sparse_allsum(SparseMatrix<double> &toShare) const
		// get actual rows
		INDEX *rec_ia = new INDEX[totalRowsCRS];
		if (toShare.size() == 0) {
		double dummy[0];
		error = MPI_Allgatherv(dummy, 0, MPI_INT,
		double dummy;
		error = MPI_Allgatherv(&dummy, 0, MPI_INT,
		rec_ia, rowCounts, rowOffsets, MPI_INT, lammps_->world);
		}
		else
		@@ -211,6 +211,10 @@ void LammpsInterface::sparse_allsum(SparseMatrix<double> &toShare) const
		toShare += tempMat;
		}
		}
		delete[] rowCounts;
		delete[] sizeCounts;
		delete[] rowOffsets;
		delete[] sizeOffsets;

		delete[] recInfo;
		delete[] rec_ia;

+6 −5

Original line number	Diff line number	Diff line
		@@ -315,7 +315,7 @@ class LammpsInterface {
		}
		else {
		int commSize = comm_size();
		double recv[commSize];
		double *recv = new double[commSize];
		MPI_Wrappers::gather(lammps_->world,data,recv);
		if (rank_zero()) {
		full_msg << " ATC:" << tag;
		@@ -324,6 +324,7 @@ class LammpsInterface {
		}
		full_msg << "\n";
		}
		delete[] recv;
		}
		if (rank_zero()) {
		std::string mesg = full_msg.str();
		@@ -577,13 +578,13 @@ class LammpsInterface {
		void destroy_2d_int_array(int **i) const;
		int grow_2d_int_array(int array, int n1, int n2, const char *name) const;
		template <typename T>
		T * grow_array(T &array, int n, const char name) const {return lammps_->memory->grow(array,n,name);};
		T * grow_array(T &array, int n, const char name) const {return lammps_->memory->grow(array,n,name);}
		template <typename T>
		void destroy_array(T * array) {lammps_->memory->destroy(array);};
		void destroy_array(T * array) {lammps_->memory->destroy(array);}
		template <typename T>
		T grow_array(T &array, int n1, int n2, const char *name) const {return lammps_->memory->grow(array,n1,n2,name);};
		T grow_array(T &array, int n1, int n2, const char *name) const {return lammps_->memory->grow(array,n1,n2,name);}
		template <typename T>
		void destroy_array(T ** array) const {lammps_->memory->destroy(array);};
		void destroy_array(T ** array) const {lammps_->memory->destroy(array);}
		/@}/

		/** \name Methods that interface with Update class */