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39 * \brief Implements functionality for printing information about the
40 * currently running binary
42 * \ingroup module_utility
46 #include "binaryinformation.h"
50 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
51 // Needed for construction of the FFT library description string
60 # include <extrae_user_events.h>
75 /* This file is completely threadsafe - keep it that way! */
77 #include "buildinfo.h"
78 #include "gromacs/utility/arraysize.h"
79 #include "gromacs/utility/baseversion.h"
80 #include "gromacs/utility/exceptions.h"
81 #include "gromacs/utility/gmxassert.h"
82 #include "gromacs/utility/path.h"
83 #include "gromacs/utility/programcontext.h"
84 #include "gromacs/utility/stringutil.h"
85 #include "gromacs/utility/sysinfo.h"
86 #include "gromacs/utility/textwriter.h"
88 #include "cuda_version_information.h"
93 using gmx::formatString;
95 //! \cond Doxygen does not need to care about most of this stuff, and the macro usage is painful to document
97 int centeringOffset(int width, int length)
99 return std::max(width - length, 0) / 2;
102 std::string formatCentered(int width, const char* text)
104 const int offset = centeringOffset(width, std::strlen(text));
105 return formatString("%*s%s", offset, "", text);
108 void printCopyright(gmx::TextWriter* writer)
110 static const char* const Contributors[] = { "Andrey Alekseenko",
114 "Herman J.C. Berendsen",
117 "Viacheslav Bolnykh",
125 "Vincent Hindriksen",
128 "Christoph Junghans",
130 "Dimitrios Karkoulis",
151 "Christian Wennberg",
154 static const char* const CopyrightText[] = {
155 "Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
156 "Copyright (c) 2001-2019, The GROMACS development team at",
157 "Uppsala University, Stockholm University and",
158 "the Royal Institute of Technology, Sweden.",
159 "check out http://www.gromacs.org for more information."
162 #define NCONTRIBUTORS static_cast<int>(asize(Contributors))
163 #define NCR static_cast<int>(asize(CopyrightText))
165 // TODO a centering behaviour of TextWriter could be useful here
166 writer->writeLine(formatCentered(78, "GROMACS is written by:"));
167 for (int i = 0; i < NCONTRIBUTORS;)
169 for (int j = 0; j < 3 && i < NCONTRIBUTORS; ++j, ++i)
171 const int width = 26;
172 std::array<char, 30> buf;
173 const int offset = centeringOffset(width, strlen(Contributors[i]));
174 GMX_RELEASE_ASSERT(static_cast<int>(strlen(Contributors[i])) + offset < gmx::ssize(buf),
175 "Formatting buffer is not long enough");
176 std::fill(buf.begin(), buf.begin() + offset, ' ');
177 std::strncpy(buf.data() + offset, Contributors[i], gmx::ssize(buf) - offset);
178 writer->writeString(formatString(" %-*s", width, buf.data()));
180 writer->ensureLineBreak();
182 writer->writeLine(formatCentered(78, "and the project leaders:"));
184 formatCentered(78, "Mark Abraham, Berk Hess, Erik Lindahl, and David van der Spoel"));
185 writer->ensureEmptyLine();
186 for (int i = 0; i < NCR; ++i)
188 writer->writeLine(CopyrightText[i]);
190 writer->ensureEmptyLine();
192 // Folding At Home has different licence to allow digital
193 // signatures in GROMACS, so does not need to show the normal
194 // license statement.
197 writer->writeLine("GROMACS is free software; you can redistribute it and/or modify it");
198 writer->writeLine("under the terms of the GNU Lesser General Public License");
199 writer->writeLine("as published by the Free Software Foundation; either version 2.1");
200 writer->writeLine("of the License, or (at your option) any later version.");
204 // Construct a string that describes the library that provides FFT support to this build
205 const char* getFftDescriptionString()
207 // Define the FFT description string
208 #if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
209 # if GMX_NATIVE_WINDOWS
213 // Use the version string provided by libfftw3
217 return fftwf_version;
225 return "fftpack (built-in)";
229 void gmx_print_version_info(gmx::TextWriter* writer)
231 writer->writeLine(formatString("GROMACS version: %s", gmx_version()));
232 const char* const git_hash = gmx_version_git_full_hash();
233 if (git_hash[0] != '\0')
235 writer->writeLine(formatString("GIT SHA1 hash: %s", git_hash));
237 const char* const base_hash = gmx_version_git_central_base_hash();
238 if (base_hash[0] != '\0')
240 writer->writeLine(formatString("Branched from: %s", base_hash));
242 const char* const releaseSourceChecksum = gmxReleaseSourceChecksum();
243 const char* const currentSourceChecksum = gmxCurrentSourceChecksum();
244 if (releaseSourceChecksum[0] != '\0')
246 if (std::strcmp(releaseSourceChecksum, "NoChecksumFile") == 0)
248 writer->writeLine(formatString(
249 "The source code this program was compiled from has not been verified because "
250 "the reference checksum was missing during compilation. This means you have an "
251 "incomplete GROMACS distribution, please make sure to download an intact "
252 "source distribution and compile that before proceeding."));
253 writer->writeLine(formatString("Computed checksum: %s", currentSourceChecksum));
255 else if (std::strcmp(releaseSourceChecksum, "NoPythonAvailable") == 0)
258 formatString("Build source could not be verified, because the checksum could "
259 "not be computed."));
261 else if (std::strcmp(releaseSourceChecksum, currentSourceChecksum) != 0)
263 writer->writeLine(formatString(
264 "This program has been built from source code that has been altered and does "
265 "not match the code released as part of the official GROMACS version %s. If "
266 "you did not intend to use an altered GROMACS version, make sure to download "
267 "an intact source distribution and compile that before proceeding.",
269 writer->writeLine(formatString(
270 "If you have modified the source code, you are strongly encouraged to set your "
271 "custom version suffix (using -DGMX_VERSION_STRING_OF_FORK) which will can "
272 "help later with scientific reproducibility but also when reporting bugs."));
273 writer->writeLine(formatString("Release checksum: %s", releaseSourceChecksum));
274 writer->writeLine(formatString("Computed checksum: %s", currentSourceChecksum));
278 writer->writeLine(formatString("Verified release checksum is %s", releaseSourceChecksum));
284 writer->writeLine("Precision: double");
286 writer->writeLine("Precision: single");
288 writer->writeLine(formatString("Memory model: %u bit", static_cast<unsigned>(8 * sizeof(void*))));
291 writer->writeLine("MPI library: thread_mpi");
293 writer->writeLine("MPI library: MPI");
295 writer->writeLine("MPI library: none");
298 writer->writeLine(formatString("OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = %d)",
299 GMX_OPENMP_MAX_THREADS));
301 writer->writeLine("OpenMP support: disabled");
303 writer->writeLine(formatString("GPU support: %s", getGpuImplementationString()));
304 writer->writeLine(formatString("SIMD instructions: %s", GMX_SIMD_STRING));
305 writer->writeLine(formatString("FFT library: %s", getFftDescriptionString()));
307 writer->writeLine(formatString("RDTSCP usage: %s", GMX_USE_RDTSCP ? "enabled" : "disabled"));
310 writer->writeLine("TNG support: enabled");
312 writer->writeLine("TNG support: disabled");
315 writer->writeLine(formatString("Hwloc support: hwloc-%s", HWLOC_VERSION));
317 writer->writeLine("Hwloc support: disabled");
320 unsigned major, minor, revision;
321 Extrae_get_version(&major, &minor, &revision);
322 writer->writeLine(formatString(
323 "Tracing support: enabled. Using Extrae-%d.%d.%d", major, minor, revision));
325 writer->writeLine("Tracing support: disabled");
329 /* TODO: The below strings can be quite long, so it would be nice to wrap
330 * them. Can wait for later, as the master branch has ready code to do all
332 writer->writeLine(formatString("C compiler: %s", BUILD_C_COMPILER));
333 writer->writeLine(formatString(
334 "C compiler flags: %s %s", BUILD_CFLAGS, CMAKE_BUILD_CONFIGURATION_C_FLAGS));
335 writer->writeLine(formatString("C++ compiler: %s", BUILD_CXX_COMPILER));
336 writer->writeLine(formatString(
337 "C++ compiler flags: %s %s", BUILD_CXXFLAGS, CMAKE_BUILD_CONFIGURATION_CXX_FLAGS));
339 /* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
340 writer->writeLine(formatString(
341 "Linked with Intel MKL version %d.%d.%d.", __INTEL_MKL__, __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
344 writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
345 writer->writeLine(formatString("OpenCL library: %s", OPENCL_LIBRARY));
346 writer->writeLine(formatString("OpenCL version: %s", OPENCL_VERSION_STRING));
349 writer->writeLine(formatString("CUDA compiler: %s", CUDA_COMPILER_INFO));
350 writer->writeLine(formatString(
351 "CUDA compiler flags:%s %s", CUDA_COMPILER_FLAGS, CMAKE_BUILD_CONFIGURATION_CXX_FLAGS));
352 writer->writeLine("CUDA driver: " + gmx::getCudaDriverVersionString());
353 writer->writeLine("CUDA runtime: " + gmx::getCudaRuntimeVersionString());
364 BinaryInformationSettings::BinaryInformationSettings() :
365 bExtendedInfo_(false),
368 bGeneratedByHeader_(false),
374 void printBinaryInformation(FILE* fp, const IProgramContext& programContext)
376 TextWriter writer(fp);
377 printBinaryInformation(&writer, programContext, BinaryInformationSettings());
380 void printBinaryInformation(FILE* fp,
381 const IProgramContext& programContext,
382 const BinaryInformationSettings& settings)
386 TextWriter writer(fp);
387 printBinaryInformation(&writer, programContext, settings);
389 GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR
392 void printBinaryInformation(TextWriter* writer,
393 const IProgramContext& programContext,
394 const BinaryInformationSettings& settings)
396 // TODO Perhaps the writer could be configured with the prefix and
397 // suffix strings from the settings?
398 const char* prefix = settings.prefix_;
399 const char* suffix = settings.suffix_;
400 const char* precisionString = "";
402 precisionString = " (double precision)";
404 const char* const name = programContext.displayName();
405 if (settings.bGeneratedByHeader_)
407 writer->writeLine(formatString("%sCreated by:%s", prefix, suffix));
409 // TODO: It would be nice to know here whether we are really running a
410 // Gromacs binary or some other binary that is calling Gromacs; we
411 // could then print "%s is part of GROMACS" or some alternative text.
412 std::string title = formatString(":-) GROMACS - %s, %s%s (-:", name, gmx_version(), precisionString);
414 centeringOffset(78 - std::strlen(prefix) - std::strlen(suffix), title.length()) + 1;
415 writer->writeLine(formatString("%s%*c%s%s", prefix, indent, ' ', title.c_str(), suffix));
416 writer->writeLine(formatString("%s%s", prefix, suffix));
417 if (settings.bCopyright_)
419 GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
420 "Prefix/suffix not supported with copyright");
421 printCopyright(writer);
422 writer->ensureEmptyLine();
423 // This line is printed again after the copyright notice to make it
424 // appear together with all the other information, so that it is not
425 // necessary to read stuff above the copyright notice.
426 // The line above the copyright notice puts the copyright notice is
428 writer->writeLine(formatString(
429 "%sGROMACS: %s, version %s%s%s", prefix, name, gmx_version(), precisionString, suffix));
431 const char* const binaryPath = programContext.fullBinaryPath();
432 if (!gmx::isNullOrEmpty(binaryPath))
434 writer->writeLine(formatString("%sExecutable: %s%s", prefix, binaryPath, suffix));
436 const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
437 if (!gmx::isNullOrEmpty(installPrefix.path))
439 writer->writeLine(formatString("%sData prefix: %s%s%s",
442 installPrefix.bSourceLayout ? " (source tree)" : "",
445 const std::string workingDir = Path::getWorkingDirectory();
446 if (!workingDir.empty())
448 writer->writeLine(formatString("%sWorking dir: %s%s", prefix, workingDir.c_str(), suffix));
450 if (settings.bProcessId_)
452 writer->writeLine(formatString("%sProcess ID: %d%s", prefix, gmx_getpid(), suffix));
454 const char* const commandLine = programContext.commandLine();
455 if (!gmx::isNullOrEmpty(commandLine))
457 writer->writeLine(formatString(
458 "%sCommand line:%s\n%s %s%s", prefix, suffix, prefix, commandLine, suffix));
460 if (settings.bExtendedInfo_)
462 GMX_RELEASE_ASSERT(prefix[0] == '\0' && suffix[0] == '\0',
463 "Prefix/suffix not supported with extended info");
464 writer->ensureEmptyLine();
465 gmx_print_version_info(writer);