Fix trapping restored calculation work-flow (097f4581) · Commits · Giacomo Mulas / NP_TMcode

src/trapping/cfrfme.cpp

+330 −307

Original line number	Original line	Diff line number	Diff line
	@@ -57,6 +57,10 @@
	#include "../include/tra_subs.h"		#include "../include/tra_subs.h"
	#endif		#endif

			#ifndef INCLUDE_ERRORS_H_
			#include "../include/errors.h"
			#endif

	#ifdef USE_NVTX		#ifdef USE_NVTX
	#include <nvtx3/nvToolsExt.h>		#include <nvtx3/nvToolsExt.h>
	#endif		#endif
	@@ -146,15 +150,23 @@ void frfme(string data_file, string output_path) {
	str_target = m.suffix().str();		str_target = m.suffix().str();
	regex_search(str_target, m, re);		regex_search(str_target, m, re);
	int jlml = stoi(m.str());		int jlml = stoi(m.str());
	int lmode = 0, lm = 0, nks = 0;		// Input parameters
			int lmode, lm;
	double vk = 0.0, exri = 0.0, an = 0.0, ff = 0.0, tra = 0.0;		double vk = 0.0, exri = 0.0, an = 0.0, ff = 0.0, tra = 0.0;
	double exdc = 0.0, wp = 0.0, xip = 0.0, xi = 0.0;		double exdc = 0.0, wp = 0.0, xip = 0.0, xi = 0.0;
	int idfc = 0, nxi = 0;		int idfc = 0, nxi = 0;
	double apfafa = 0.0, pmf = 0.0, spd = 0.0, rir = 0.0, ftcn = 0.0, fshmx = 0.0;		double apfafa = 0.0, pmf = 0.0, spd = 0.0, rir = 0.0, ftcn = 0.0, fshmx = 0.0;
	double vxyzmx = 0.0, delxyz = 0.0, vknmx = 0.0, delk = 0.0, delks = 0.0;		double vxyzmx = 0.0, delxyz = 0.0, vknmx = 0.0, delk = 0.0, delks = 0.0, vkm = 0.0;
	double frsh = 0.0, exril = 0.0;		double frsh = 0.0, exril = 1.0, spdfr = 1.0, exdcl = 1.0, wlenfr= 1.0, wn = 0.0;
	double *vkv = NULL;		int nksh = 0, nrsh = 0, nxsh = 0, nysh = 0, nzsh = 0;
			// Calculation parameters, computed from input data
	int nlmmt = 0, nrvc = 0;		int nlmmt = 0, nrvc = 0;
			int nkshpo = 0, nks = 0, nkv = 0;
			int nxshpo = 0, nxs = 0, nxv = 0;
			int nyshpo = 0, nys = 0, nyv = 0;
			int nzshpo = 0, nzs = 0, nzv = 0;
			double *vkv = NULL;
			double _xv = NULL, _yv = NULL, *_zv = NULL;
	// Vector size variables		// Vector size variables
	int wsum_size;		int wsum_size;
	// End of vector size variables		// End of vector size variables
	@@ -162,16 +174,18 @@ void frfme(string data_file, string output_path) {
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePush("frfme() with jlmf != 1");		nvtxRangePush("frfme() with jlmf != 1");
	#endif		#endif
	int nxv, nyv, nzv;
	if (tfrfme == NULL) tfrfme = TFRFME::from_binary(tfrfme_name, "HDF5");		if (tfrfme == NULL) tfrfme = TFRFME::from_binary(tfrfme_name, "HDF5");
	if (tfrfme != NULL) {		if (tfrfme != NULL) {
	lmode = tfrfme->lmode;		lmode = tfrfme->lmode;
	lm = tfrfme->lm;		lm = tfrfme->lm;
	const int nkv = tfrfme->nkv;		nkv = tfrfme->nkv;
	nks = nkv - 1;		nks = nkv - 1;
	nxv = tfrfme->nxv;		nxv = tfrfme->nxv;
	nyv = tfrfme->nyv;		nyv = tfrfme->nyv;
	nzv = tfrfme->nzv;		nzv = tfrfme->nzv;
			_xv = tfrfme->get_x();
			_yv = tfrfme->get_y();
			_zv = tfrfme->get_z();
	vk = tfrfme->vk;		vk = tfrfme->vk;
	exri = tfrfme->exri;		exri = tfrfme->exri;
	an = tfrfme->an;		an = tfrfme->an;
	@@ -215,7 +229,6 @@ void frfme(string data_file, string output_path) {
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePush("Setup operations");		nvtxRangePush("Setup operations");
	#endif		#endif
	int nksh, nrsh, nxsh, nysh, nzsh;
	str_target = file_lines[last_read_line++];		str_target = file_lines[last_read_line++];
	for (int cli = 0; cli < 7; cli++) {		for (int cli = 0; cli < 7; cli++) {
	regex_search(str_target, m, re);		regex_search(str_target, m, re);
	@@ -230,7 +243,7 @@ void frfme(string data_file, string output_path) {
	}		}
	re = regex("-?[0-9]\\.[0-9]+([dDeE][-+]?[0-9]+)?");		re = regex("-?[0-9]\\.[0-9]+([dDeE][-+]?[0-9]+)?");
	regex_search(str_target, m, re);		regex_search(str_target, m, re);
	double wlenfr = stod(m.str());		wlenfr = stod(m.str());
	str_target = file_lines[last_read_line++];		str_target = file_lines[last_read_line++];
	for (int cli = 0; cli < 3; cli++) {		for (int cli = 0; cli < 3; cli++) {
	regex_search(str_target, m, re);		regex_search(str_target, m, re);
	@@ -239,7 +252,6 @@ void frfme(string data_file, string output_path) {
	else if (cli == 2) tra = stod(m.str());		else if (cli == 2) tra = stod(m.str());
	str_target = m.suffix().str();		str_target = m.suffix().str();
	}		}
	double spdfr, exdcl;
	str_target = file_lines[last_read_line++];		str_target = file_lines[last_read_line++];
	for (int cli = 0; cli < 3; cli++) {		for (int cli = 0; cli < 3; cli++) {
	regex_search(str_target, m, re);		regex_search(str_target, m, re);
	@@ -262,6 +274,9 @@ void frfme(string data_file, string output_path) {
	else if (more == 'e' \|\| more == 'E') {		else if (more == 'e' \|\| more == 'E') {
	more = 'E';		more = 'E';
	sprintf(namef, "c_TEDF");		sprintf(namef, "c_TEDF");
			} else {
			throw(UnrecognizedConfigurationException("ERROR: only 'm', 'M', 'e', or 'E' accepted as modes!\n"));
			}
	}		}
	str_target = m.suffix().str();		str_target = m.suffix().str();
	re = regex("[0-9]+");		re = regex("[0-9]+");
	@@ -282,10 +297,12 @@ void frfme(string data_file, string output_path) {
	}		}
	}		}
	ScattererConfiguration *tedf = ScattererConfiguration::from_binary(tedf_name, "HDF5");		ScattererConfiguration *tedf = ScattererConfiguration::from_binary(tedf_name, "HDF5");
	if (tedf != NULL) {
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePush("TEDF data import");		nvtxRangePush("TEDF data import");
	#endif		#endif
			if (tedf == NULL) {
			throw(OpenConfigurationFileException("ERROR: could not open " + tedf_name + "hd5!\n"));
			}
	int iduml, idum;		int iduml, idum;
	iduml = tedf->number_of_spheres;		iduml = tedf->number_of_spheres;
	idum = tedf->get_iog(iduml - 1);		idum = tedf->get_iog(iduml - 1);
	@@ -313,7 +330,7 @@ void frfme(string data_file, string output_path) {
	nvtxRangePop();		nvtxRangePop();
	#endif		#endif
	delete tedf;		delete tedf;
	double wn = wp / 3.0e8;		wn = wp / 3.0e8;
	vk = xi * wn;		vk = xi * wn;
	exri = sqrt(exdc);		exri = sqrt(exdc);
	frsh = 0.0;		frsh = 0.0;
	@@ -337,7 +354,7 @@ void frfme(string data_file, string output_path) {
	#endif		#endif
	nlmmt = lm * (lm + 2) * 2;		nlmmt = lm * (lm + 2) * 2;
	nks = nksh * 2;		nks = nksh * 2;
	const int nkv = nks + 1;		nkv = nks + 1;
	// Array initialization		// Array initialization
	long swap1_size, swap2_size, tfrfme_size;		long swap1_size, swap2_size, tfrfme_size;
	double size_mb;		double size_mb;
	@@ -354,22 +371,22 @@ void frfme(string data_file, string output_path) {
	tt2 = new Swap2(nkv);		tt2 = new Swap2(nkv);
	vkv = tt2->get_vector();		vkv = tt2->get_vector();
	// End of array initialization		// End of array initialization
	double vkm = vk * exri;		vkm = vk * exri;
	vknmx = vk * an;		vknmx = vk * an;
	delk = vknmx / nksh;		delk = vknmx / nksh;
	delks = delk / vkm;		delks = delk / vkm;
	delks = delks * delks;		delks = delks * delks;
	vxyzmx = acos(0.0) * 4.0 / vkm * wlenfr;		vxyzmx = acos(0.0) * 4.0 / vkm * wlenfr;
	delxyz = vxyzmx / nrsh;		delxyz = vxyzmx / nrsh;
	int nxs = nxsh * 2;		nxs = nxsh * 2;
	int nxv = nxs + 1;		nxv = nxs + 1;
	int nxshpo = nxsh + 1;		nxshpo = nxsh + 1;
	int nys = nysh * 2;		nys = nysh * 2;
	int nyv = nys + 1;		nyv = nys + 1;
	int nyshpo = nysh + 1;		nyshpo = nysh + 1;
	int nzs = nzsh * 2;		nzs = nzsh * 2;
	int nzv = nzs + 1;		nzv = nzs + 1;
	int nzshpo = nzsh + 1;		nzshpo = nzsh + 1;
	tfrfme_size = TFRFME::get_size(lm, nkv, nxv, nyv, nzv);		tfrfme_size = TFRFME::get_size(lm, nkv, nxv, nyv, nzv);
	size_mb = 1.0 * tfrfme_size / 1024.0 / 1024.0;		size_mb = 1.0 * tfrfme_size / 1024.0 / 1024.0;
	sprintf(buffer, "TFRFME: %.2lg MB\n", size_mb);		sprintf(buffer, "TFRFME: %.2lg MB\n", size_mb);
	@@ -387,9 +404,11 @@ void frfme(string data_file, string output_path) {
	logger.log(message);		logger.log(message);

	tfrfme = new TFRFME(lmode, lm, nkv, nxv, nyv, nzv);		tfrfme = new TFRFME(lmode, lm, nkv, nxv, nyv, nzv);
	double *_xv = tfrfme->get_x();		if (tfrfme == NULL)
	double *_yv = tfrfme->get_y();		throw(ObjectAllocationException("ERROR: could not initialize TFRFME structure!\n"));
	double *_zv = tfrfme->get_z();		_xv = tfrfme->get_x();
			_yv = tfrfme->get_y();
			_zv = tfrfme->get_z();
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePop();		nvtxRangePop();
	#endif		#endif
	@@ -408,8 +427,8 @@ void frfme(string data_file, string output_path) {
	_zv[i27] = _zv[i27 - 1] + delxyz;		_zv[i27] = _zv[i27 - 1] + delxyz;
	_zv[nzv - i27 - 1] = -_zv[i27];		_zv[nzv - i27 - 1] = -_zv[i27];
	} // i27 loop		} // i27 loop
	int nrvc = nxv * nyv * nzv;		nrvc = nxv * nyv * nzv;
	int nkshpo = nksh + 1;		nkshpo = nksh + 1;
	for (int i28 = nkshpo; i28 <= nks; i28++) {		for (int i28 = nkshpo; i28 <= nks; i28++) {
	vkv[i28] = vkv[i28 - 1] + delk;		vkv[i28] = vkv[i28 - 1] + delk;
	vkv[nkv - i28 - 1] = -vkv[i28];		vkv[nkv - i28 - 1] = -vkv[i28];
	@@ -417,7 +436,6 @@ void frfme(string data_file, string output_path) {
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePop();		nvtxRangePop();
	#endif		#endif
	if (tfrfme != NULL) {
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePush("TFRFME initialization");		nvtxRangePush("TFRFME initialization");
	#endif		#endif
	@@ -455,6 +473,8 @@ void frfme(string data_file, string output_path) {
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePop();		nvtxRangePop();
	#endif		#endif
			} // jlmf = 1 configuration mode
			// label 45
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePush("j80 loop");		nvtxRangePush("j80 loop");
	#endif		#endif
	@@ -498,6 +518,7 @@ void frfme(string data_file, string output_path) {
	logger.log(message);		logger.log(message);
	free(global_vec_w);		free(global_vec_w);
	#else		#else
			// This code block is compiled if USE_TARGET_OFFLOAD is not defined
	#pragma omp parallel for		#pragma omp parallel for
	for (int j80 = jlmf - 1; j80 < jlml; j80++) {		for (int j80 = jlmf - 1; j80 < jlml; j80++) {
	dcomplex vec_w = global_vec_w + nkvs (j80 - jlmf + 1);		dcomplex vec_w = global_vec_w + nkvs (j80 - jlmf + 1);
	@@ -576,25 +597,8 @@ void frfme(string data_file, string output_path) {
	fclose(output);		fclose(output);
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePop();		nvtxRangePop();
	#endif
	} else { // Should never happen.
	message = "ERROR: could not open TFRFME file for output.\n";
	logger.err(message);
	}
	} else {
	message = "ERROR: could not open TEDF file.\n";
	logger.err(message);
	}
	} else { // label 98
	string output_name = output_path + "/c_OFRFME";
	FILE *output = fopen(output_name.c_str(), "w");
	fprintf(output, " WRONG INPUT TAPE\n");
	fclose(output);
	}
	#ifdef USE_NVTX
	nvtxRangePop();		nvtxRangePop();
	#endif		#endif
	}
	// label 45		// label 45
	#ifdef USE_NVTX		#ifdef USE_NVTX
	nvtxRangePush("frfme() memory clean");		nvtxRangePush("frfme() memory clean");
	@@ -620,6 +624,25 @@ void frfme(string data_file, string output_path) {
	nvtxRangePop();		nvtxRangePop();
	#endif		#endif
	}		}
			// STALE CODE BLOCK
			// else { // Should never happen.
			// message = "ERROR: could not open TFRFME file for output.\n";
			// logger.err(message);
			// }
			// } else {
			// message = "ERROR: could not open TEDF file.\n";
			// logger.err(message);
			// }
			// } else { // label 98
			// string output_name = output_path + "/c_OFRFME";
			// FILE *output = fopen(output_name.c_str(), "w");
			// fprintf(output, " WRONG INPUT TAPE\n");
			// fclose(output);
			// }
			// #ifdef USE_NVTX
			// nvtxRangePop();
			// #endif
			// }

	#ifdef USE_TARGET_OFFLOAD		#ifdef USE_TARGET_OFFLOAD
	void offload_loop(		void offload_loop(