Merge branch 'update_trapping' into 'master' (4ef7c9a0) · Commits · Giacomo Mulas / NP_TMcode

.gitlab-ci.yml

+3 −3

Original line number	Diff line number	Diff line
		@@ -212,18 +212,18 @@ testing_stage:
		- cd build/sphere
		- export FFILE=../../test_data/sphere/OSPH
		- echo "Comparing output of SPHERE"
		- python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OSPH --html
		- python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OSPH --html
		- echo "Checking consistency among legacy and HDF5 configuration files"
		- ../testing/test_TEDF ../../test_data/sphere/DEDFB c_TEDF c_TEDF.hd5
		- cd ../cluster
		- echo "Comparing output of CLUSTER"
		- export FFILE=../../test_data/cluster/OCLU
		- python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html
		- python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OCLU --html
		- echo "Testing cluster with 24 spheres"
		- OMP_NUM_THREADS=1 OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 mpirun -n 2 ./np_cluster ../../test_data/cluster/DEDFB_24 ../../test_data/cluster/DCLU_24 .
		- echo "Comparing output of CLUSTER with 24 spheres"
		- export FFILE=../../test_data/cluster/OCLU_24
		- python3 ../../src/scripts/pycompare.py --no-progress --ffile=$FFILE --cfile=c_OCLU --html
		- python3 ../../src/scripts/pycompare.py --no-progress --ffile $FFILE --cfile c_OCLU --html
		- echo "Checking consistency among legacy and HDF5 configuration files"
		- ../testing/test_TEDF ../../test_data/cluster/DEDFB_24 c_TEDF c_TEDF.hd5
		- echo "Checking consistency among legacy and HDF5 TM files"

src/include/types.h

+16 −2

Original line number	Diff line number	Diff line
		@@ -62,7 +62,21 @@ typedef __complex__ double dcomplex;
		#endif // lapack_int
		#endif // np_int

		#define imag(z) ( __imag__ (z) )
		#define real(z) ( __real__ (z) )
		#define dconjg(z) ( (__real__ (z) - I * (__imag__ (z))) )

		/*! \brief Get the imaginary part of double precision complex number.
		*
		* \param z: `const dcomplex &` Reference to the complex number from
		* which to extract the imaginary part.
		* \return Im(z): `double` Imaginary part of z.
		*/
		double inline imag(const dcomplex &z) { return __imag__ z; }

		/*! \brief Get the imaginary part of double precision complex number.
		*
		* \param z: `const dcomplex &` Reference to the complex number from
		* which to extract the real part.
		* \return Re(z): `double` Real part of z.
		*/
		double inline real(const dcomplex &z) { return __real__ z; }
		#endif

src/libnptm/Configuration.cpp

+4 −3

Original line number	Diff line number	Diff line
		@@ -856,6 +856,7 @@ ScattererConfiguration* ScattererConfiguration::from_hdf5(const std::string& fil
		} // di loop
		delete[] elements;
		status = hdf_file->close();
		delete hdf_file;
		conf = new ScattererConfiguration(
		nsph,
		configuration_count,
		@@ -873,8 +874,8 @@ ScattererConfiguration* ScattererConfiguration::from_hdf5(const std::string& fil
		_wp,
		_xip
		);
		delete[] xi_vec;
		}

		return conf;
		}

src/libnptm/tra_subs.cpp

+14 −4

Original line number	Diff line number	Diff line
		@@ -45,6 +45,18 @@
		#include "../include/tra_subs.h"
		#endif

		#ifdef USE_NVTX
		#include <nvtx3/nvToolsExt.h>
		#endif

		#ifdef _OPENMP
		#include <omp.h>
		#endif

		#ifdef USE_TARGET_OFFLOAD
		#pragma omp requires unified_shared_memory
		#endif

		void camp(dcomplex ac, dcomplex am0m, dcomplex ws, CIL *cil) {
		for (int j = 0; j < cil->nlemt; j++) {
		for (int i = 0; i < cil->nlemt; i++) {
		@@ -96,8 +108,7 @@ void ffrf(
		int ltpo = lpo + l40;
		int imm = l40 * lpo;
		for (int ilmp40 = 1; ilmp40 <= 3; ilmp40++) {
		// NOTE: if trapping execution diverges, replace "break" with "continue"
		if ((l40 == 1 && ilmp40 == 1) \|\| (l40 == cil->le && ilmp40 == 3)) break; // ilmp40 loop
		if ((l40 == 1 && ilmp40 == 1) \|\| (l40 == cil->le && ilmp40 == 3)) continue; // ilmp40 loop
		int lmpml = ilmp40 - 2;
		int lmp = l40 + lmpml;
		uimmp = uim * (-1.0 * lmpml);
		@@ -150,8 +161,7 @@ void ffrf(
		int ltpo = lpo + l80;
		int imm = l80 * lpo;
		for (int ilmp80 = 1; ilmp80 <= 3; ilmp80++) {
		// NOTE: if trapping execution diverges, replace "break" with "continue"
		if ((l80 == 1 && ilmp80 == 1) \|\| (l80 == cil->le && ilmp80 == 3)) break; // ilmp80 loop
		if ((l80 == 1 && ilmp80 == 1) \|\| (l80 == cil->le && ilmp80 == 3)) continue; // ilmp80 loop
		int lmpml = ilmp80 - 2;
		int lmp = l80 + lmpml;
		uimmp = uim * (-1.0 * lmpml);

src/scripts/pycompare.py

+47 −16

Original line number	Diff line number	Diff line
		@@ -343,6 +343,7 @@ def compare_lines(f_line, c_line, config, line_num=0, num_len=4, log_file=None):
		log_line + "</code><span style=\"font-weight: bold; color: rgb(255,0,0)\"><code>"
		+ c_groups[-1] + "</code></span><code>" + c_line[c_ends[-1]:len(c_line) - 2]
		)
		if ((not config['hide_noise'] and noisy > 0) or warnings > 0 or errors > 0):
		log_file.write(log_line + "</code></pre></div>\n")
		log_file.write(ref_line)
		else: # The two lines contain a different number of numeric values
		@@ -428,11 +429,17 @@ def mismatch_severities(str_f_values, str_c_values, config):
		fractional = scale * (f_values[i] - c_values[i]) / f_values[i]
		if (fractional < 0.0): fractional *= -1.0
		if (fractional <= config['warning_threshold']):
		if (log_f_value > config['data_order']):
		result[i] = 2
		else:
		result[i] = 1
		else:
		if (log_f_value > config['data_order']):
		result[i] = 3
		else:
		result[i] = 1
		else:
		result[i] = 1
		else: # f_values[i] == 0 and c_values[i] != 0
		sign = 1.0 if c_values[i] > 0.0 else -1.0
		log_c_value = log10(sign * c_values[i])
		@@ -441,11 +448,17 @@ def mismatch_severities(str_f_values, str_c_values, config):
		fractional = scale * (c_values[i] - f_values[i]) / c_values[i]
		if (fractional < 0.0): fractional *= -1.0
		if (fractional <= config['warning_threshold']):
		if (log_c_value > config['data_order']):
		result[i] = 2
		else:
		result[i] = 1
		else:
		if (log_c_value > config['data_order']):
		result[i] = 3
		else:
		result[i] = 1
		else:
		result[i] = 1
		# End number comparison
		return result

		@@ -460,31 +473,42 @@ def mismatch_severities(str_f_values, str_c_values, config):
		# \returns config: `dict` A dictionary containing the script configuration.
		def parse_arguments():
		config = {
		'fortran_file_name': '',
		'c_file_name': '',
		'check_all': True,
		'data_order': -99.0,
		'fortran_file_name': '',
		'full_log': False,
		'help_mode': False,
		'hide_noise': True,
		'html_output': 'pycompare.html',
		'linewise': True,
		'log_html': False,
		'html_output': 'pycompare.html',
		'say_progress': True,
		'warning_threshold': 0.005,
		'help_mode': False,
		'check_all': True,
		}
		arg_index = 1
		skip_arg = False
		for arg in argv[1:]:
		if skip_arg:
		skip_arg = False
		continue
		split_arg = arg.split("=")
		if (arg.startswith("--ffile")):
		config['fortran_file_name'] = split_arg[1]
		config['fortran_file_name'] = argv[arg_index + 1]
		arg_index += 1
		skip_arg = True
		elif (arg.startswith("--cfile")):
		config['c_file_name'] = split_arg[1]
		config['c_file_name'] = argv[arg_index + 1]
		arg_index += 1
		skip_arg = True
		elif (arg.startswith("--data-order")):
		config['data_order'] = float(split_arg[1])
		elif (arg.startswith("--full")):
		config['full_log'] = True
		elif (arg.startswith("--html")):
		config['log_html'] = True
		if (len(split_arg) == 2):
		config['html_output'] = split_arg[1]
		elif (arg.startswith("--warn")):
		config['warning_threshold'] = float(split_arg[1])
		elif (arg.startswith("--help")):
		config['help_mode'] = True
		elif (arg.startswith("--linewise")):
		@@ -493,8 +517,13 @@ def parse_arguments():
		config['say_progress'] = False
		elif (arg.startswith("--quick")):
		config['check_all'] = False
		elif (arg.startswith("--show-noise")):
		config['hide_noise'] = False
		elif (arg.startswith("--warn")):
		config['warning_threshold'] = float(split_arg[1])
		else:
		raise Exception("Unrecognized argument \'{0:s}\'".format(arg))
		arg_index += 1
		return config

		## \brief Print a command-line help summary.
		@@ -507,14 +536,16 @@ def print_help():
		print("Usage: \"./pycompare.py OPTIONS\" ")
		print(" ")
		print("Valid options are: ")
		print("--ffile=FORTRAN_OUTPUT File containing the output of the FORTRAN code (mandatory).")
		print("--cfile=C++_OUTPUT File containing the output of the C++ code (mandatory).")
		print("--ffile FORTRAN_OUTPUT File containing the output of the FORTRAN code (mandatory).")
		print("--cfile C++_OUTPUT File containing the output of the C++ code (mandatory).")
		print("--data-order=ORDER Consider data only down to specified order (default order is -99).")
		print("--full Print all lines to log file (default prints only mismatches).")
		print("--help Print this help and exit.")
		print("--html[=OPT_OUTPUT_NAME] Enable logging to HTML file (default logs to \"pycompare.html\").")
		print("--linewise Load only one line at a time. Useful to compare big files (True by default).")
		print("--no-progress Disable progress logging.")
		print("--quick Stop on first mismatch (default is to perform a full check).")
		print("--show-noise Show noise in reports (default is to hide it).")
		print("--warn Set a fractional threshold for numeric warning (default = 0.005).")
		print(" ")