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38 * \brief Implements functionality for printing information about the
39 * currently running binary
41 * \ingroup module_utility
45 #include "binaryinformation.h"
49 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
50 // Needed for construction of the FFT library description string
59 # include <extrae_user_events.h>
74 /* This file is completely threadsafe - keep it that way! */
76 #include "buildinfo.h"
77 #include "gromacs/utility/arraysize.h"
78 #include "gromacs/utility/baseversion.h"
79 #include "gromacs/utility/exceptions.h"
80 #include "gromacs/utility/gmxassert.h"
81 #include "gromacs/utility/path.h"
82 #include "gromacs/utility/programcontext.h"
83 #include "gromacs/utility/stringutil.h"
84 #include "gromacs/utility/sysinfo.h"
85 #include "gromacs/utility/textwriter.h"
87 #include "cuda_version_information.h"
92 using gmx::formatString;
94 //! \cond Doxygen does not need to care about most of this stuff, and the macro usage is painful to document
96 int centeringOffset(int width, int length)
98 return std::max(width - length, 0) / 2;
101 std::string formatCentered(int width, const char* text)
103 const int offset = centeringOffset(width, std::strlen(text));
104 return formatString("%*s%s", offset, "", text);
107 void printCopyright(gmx::TextWriter* writer)
109 static const char* const Contributors[] = {
110 "Emile Apol", "Rossen Apostolov", "Paul Bauer", "Herman J.C. Berendsen",
111 "Par Bjelkmar", "Christian Blau", "Viacheslav Bolnykh", "Kevin Boyd",
112 "Aldert van Buuren", "Rudi van Drunen", "Anton Feenstra", "Alan Gray",
113 "Gerrit Groenhof", "Anca Hamuraru", "Vincent Hindriksen", "M. Eric Irrgang",
114 "Aleksei Iupinov", "Christoph Junghans", "Joe Jordan", "Dimitrios Karkoulis",
115 "Peter Kasson", "Jiri Kraus", "Carsten Kutzner", "Per Larsson",
116 "Justin A. Lemkul", "Viveca Lindahl", "Magnus Lundborg", "Erik Marklund",
117 "Pascal Merz", "Pieter Meulenhoff", "Teemu Murtola", "Szilard Pall",
118 "Sander Pronk", "Roland Schulz", "Michael Shirts", "Alexey Shvetsov",
119 "Alfons Sijbers", "Peter Tieleman", "Jon Vincent", "Teemu Virolainen",
120 "Christian Wennberg", "Maarten Wolf", "Artem Zhmurov"
122 static const char* const CopyrightText[] = {
123 "Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
124 "Copyright (c) 2001-2019, The GROMACS development team at",
125 "Uppsala University, Stockholm University and", "the Royal Institute of Technology, Sweden.",
126 "check out http://www.gromacs.org for more information."
129 #define NCONTRIBUTORS static_cast<int>(asize(Contributors))
130 #define NCR static_cast<int>(asize(CopyrightText))
132 // TODO a centering behaviour of TextWriter could be useful here
133 writer->writeLine(formatCentered(78, "GROMACS is written by:"));
134 for (int i = 0; i < NCONTRIBUTORS;)
136 for (int j = 0; j < 4 && i < NCONTRIBUTORS; ++j, ++i)
138 const int width = 18;
139 std::array<char, 30> buf;
140 const int offset = centeringOffset(width, strlen(Contributors[i]));
141 GMX_RELEASE_ASSERT(static_cast<int>(strlen(Contributors[i])) + offset < gmx::ssize(buf),
142 "Formatting buffer is not long enough");
143 std::fill(buf.begin(), buf.begin() + offset, ' ');
144 std::strncpy(buf.data() + offset, Contributors[i], gmx::ssize(buf) - offset);
145 writer->writeString(formatString(" %-*s", width, buf.data()));
147 writer->ensureLineBreak();
149 writer->writeLine(formatCentered(78, "and the project leaders:"));
151 formatCentered(78, "Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel"));
152 writer->ensureEmptyLine();
153 for (int i = 0; i < NCR; ++i)
155 writer->writeLine(CopyrightText[i]);
157 writer->ensureEmptyLine();
159 // Folding At Home has different licence to allow digital
160 // signatures in GROMACS, so does not need to show the normal
161 // license statement.
164 writer->writeLine("GROMACS is free software; you can redistribute it and/or modify it");
165 writer->writeLine("under the terms of the GNU Lesser General Public License");
166 writer->writeLine("as published by the Free Software Foundation; either version 2.1");
167 writer->writeLine("of the License, or (at your option) any later version.");
171 // Construct a string that describes the library that provides FFT support to this build
172 const char* getFftDescriptionString()
174 // Define the FFT description string
175 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
176 # if GMX_NATIVE_WINDOWS
180 // Use the version string provided by libfftw3
184 return fftwf_version;
192 return "fftpack (built-in)";
196 void gmx_print_version_info(gmx::TextWriter* writer)
198 writer->writeLine(formatString("GROMACS version: %s", gmx_version()));
199 const char* const git_hash = gmx_version_git_full_hash();
200 if (git_hash[0] != '\0')
202 writer->writeLine(formatString("GIT SHA1 hash: %s", git_hash));
204 const char* const base_hash = gmx_version_git_central_base_hash();
205 if (base_hash[0] != '\0')
207 writer->writeLine(formatString("Branched from: %s", base_hash));
209 const char* const releaseSourceChecksum = gmxReleaseSourceChecksum();
210 const char* const currentSourceChecksum = gmxCurrentSourceChecksum();
211 if (releaseSourceChecksum[0] != '\0')
213 if (std::strcmp(releaseSourceChecksum, "NoChecksumFile") == 0)
215 writer->writeLine(formatString(
216 "The source code this program was compiled from has not been verified because "
217 "the reference checksum was missing during compilation. This means you have an "
218 "incomplete GROMACS distribution, please make sure to download an intact "
219 "source distribution and compile that before proceeding."));
220 writer->writeLine(formatString("Computed checksum: %s", currentSourceChecksum));
222 else if (std::strcmp(releaseSourceChecksum, "NoPythonAvailable") == 0)
225 formatString("Build source could not be verified, because the checksum could "
226 "not be computed."));
228 else if (std::strcmp(releaseSourceChecksum, currentSourceChecksum) != 0)
230 writer->writeLine(formatString(
231 "This program has been built from source code that has been altered and does "
232 "not match the code released as part of the official GROMACS version %s. If "
233 "you did not intend to use an altered GROMACS version, make sure to download "
234 "an intact source distribution and compile that before proceeding.",
236 writer->writeLine(formatString(
237 "If you have modified the source code, you are strongly encouraged to set your "
238 "custom version suffix (using -DGMX_VERSION_STRING_OF_FORK) which will can "
239 "help later with scientific reproducibility but also when reporting bugs."));
240 writer->writeLine(formatString("Release checksum: %s", releaseSourceChecksum));
241 writer->writeLine(formatString("Computed checksum: %s", currentSourceChecksum));
245 writer->writeLine(formatString("Verified release checksum is %s", releaseSourceChecksum));
251 writer->writeLine("Precision: double");
253 writer->writeLine("Precision: single");
255 writer->writeLine(formatString("Memory model: %u bit", static_cast<unsigned>(8 * sizeof(void*))));
258 writer->writeLine("MPI library: thread_mpi");
260 writer->writeLine("MPI library: MPI");
262 writer->writeLine("MPI library: none");
265 writer->writeLine(formatString("OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = %d)",
266 GMX_OPENMP_MAX_THREADS));
268 writer->writeLine("OpenMP support: disabled");
270 writer->writeLine(formatString("GPU support: %s", getGpuImplementationString()));
271 writer->writeLine(formatString("SIMD instructions: %s", GMX_SIMD_STRING));
272 writer->writeLine(formatString("FFT library: %s", getFftDescriptionString()));
273 writer->writeLine(formatString("RDTSCP usage: %s", HAVE_RDTSCP ? "enabled" : "disabled"));
275 writer->writeLine("TNG support: enabled");
277 writer->writeLine("TNG support: disabled");
280 writer->writeLine(formatString("Hwloc support: hwloc-%s", HWLOC_VERSION));
282 writer->writeLine("Hwloc support: disabled");
285 unsigned major, minor, revision;
286 Extrae_get_version(&major, &minor, &revision);
287 writer->writeLine(formatString("Tracing support: enabled. Using Extrae-%d.%d.%d", major,
290 writer->writeLine("Tracing support: disabled");
294 /* TODO: The below strings can be quite long, so it would be nice to wrap
295 * them. Can wait for later, as the master branch has ready code to do all
297 writer->writeLine(formatString("C compiler: %s", BUILD_C_COMPILER));
298 writer->writeLine(formatString("C compiler flags: %s %s", BUILD_CFLAGS,
299 CMAKE_BUILD_CONFIGURATION_C_FLAGS));
300 writer->writeLine(formatString("C++ compiler: %s", BUILD_CXX_COMPILER));
301 writer->writeLine(formatString("C++ compiler flags: %s %s", BUILD_CXXFLAGS,
302 CMAKE_BUILD_CONFIGURATION_CXX_FLAGS));
304 /* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
305 writer->writeLine(formatString("Linked with Intel MKL version %d.%d.%d.", __INTEL_MKL__,
306 __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
308 #if GMX_GPU == GMX_GPU_OPENCL
309 writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
310 writer->writeLine(formatString("OpenCL library: %s", OPENCL_LIBRARY));
311 writer->writeLine(formatString("OpenCL version: %s", OPENCL_VERSION_STRING));
313 #if GMX_GPU == GMX_GPU_CUDA
314 writer->writeLine(formatString("CUDA compiler: %s", CUDA_COMPILER_INFO));
315 writer->writeLine(formatString("CUDA compiler flags:%s %s", CUDA_COMPILER_FLAGS,
316 CMAKE_BUILD_CONFIGURATION_CXX_FLAGS));
317 writer->writeLine("CUDA driver: " + gmx::getCudaDriverVersionString());
318 writer->writeLine("CUDA runtime: " + gmx::getCudaRuntimeVersionString());
329 BinaryInformationSettings::BinaryInformationSettings() :
330 bExtendedInfo_(false),
333 bGeneratedByHeader_(false),
339 void printBinaryInformation(FILE* fp, const IProgramContext& programContext)
341 TextWriter writer(fp);
342 printBinaryInformation(&writer, programContext, BinaryInformationSettings());
345 void printBinaryInformation(FILE* fp,
346 const IProgramContext& programContext,
347 const BinaryInformationSettings& settings)
351 TextWriter writer(fp);
352 printBinaryInformation(&writer, programContext, settings);
354 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
357 void printBinaryInformation(TextWriter* writer,
358 const IProgramContext& programContext,
359 const BinaryInformationSettings& settings)
361 // TODO Perhaps the writer could be configured with the prefix and
362 // suffix strings from the settings?
363 const char* prefix = settings.prefix_;
364 const char* suffix = settings.suffix_;
365 const char* precisionString = "";
367 precisionString = " (double precision)";
369 const char* const name = programContext.displayName();
370 if (settings.bGeneratedByHeader_)
372 writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
374 // TODO: It would be nice to know here whether we are really running a
375 // Gromacs binary or some other binary that is calling Gromacs; we
376 // could then print "%s is part of GROMACS" or some alternative text.
377 std::string title = formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
379 centeringOffset(78 - std::strlen(prefix) - std::strlen(suffix), title.length()) + 1;
380 writer->writeLine(formatString("%s%*c%s%s", prefix, indent, ' ', title.c_str(), suffix));
381 writer->writeLine(formatString("%s%s", prefix, suffix));
382 if (settings.bCopyright_)
384 GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
385 "Prefix/suffix not supported with copyright");
386 printCopyright(writer);
387 writer->ensureEmptyLine();
388 // This line is printed again after the copyright notice to make it
389 // appear together with all the other information, so that it is not
390 // necessary to read stuff above the copyright notice.
391 // The line above the copyright notice puts the copyright notice is
393 writer->writeLine(formatString("%sGROMACS: %s, version %s%s%s", prefix, name,
394 gmx_version(), precisionString, suffix));
396 const char* const binaryPath = programContext.fullBinaryPath();
397 if (!gmx::isNullOrEmpty(binaryPath))
399 writer->writeLine(formatString("%sExecutable: %s%s", prefix, binaryPath, suffix));
401 const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
402 if (!gmx::isNullOrEmpty(installPrefix.path))
404 writer->writeLine(formatString("%sData prefix: %s%s%s", prefix, installPrefix.path,
405 installPrefix.bSourceLayout ? " (source tree)" : "", suffix));
407 const std::string workingDir = Path::getWorkingDirectory();
408 if (!workingDir.empty())
410 writer->writeLine(formatString("%sWorking dir: %s%s", prefix, workingDir.c_str(), suffix));
412 if (settings.bProcessId_)
414 writer->writeLine(formatString("%sProcess ID: %d%s", prefix, gmx_getpid(), suffix));
416 const char* const commandLine = programContext.commandLine();
417 if (!gmx::isNullOrEmpty(commandLine))
419 writer->writeLine(formatString("%sCommand line:%s\n%s %s%s", prefix, suffix, prefix,
420 commandLine, suffix));
422 if (settings.bExtendedInfo_)
424 GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
425 "Prefix/suffix not supported with extended info");
426 writer->ensureEmptyLine();
427 gmx_print_version_info(writer);