* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
* Copyright (c) 2013,2014,2015,2016,2017 by the GROMACS development team.
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
# include <fftw3.h>
#endif
-#ifdef HAVE_LIBMKL
+#if HAVE_LIBMKL
# include <mkl.h>
#endif
#include "gromacs/utility/textwriter.h"
#include "cuda_version_information.h"
+#include "sycl_version_information.h"
namespace
{
void printCopyright(gmx::TextWriter* writer)
{
- static const char* const Contributors[] = {
- "Emile Apol", "Rossen Apostolov", "Paul Bauer", "Herman J.C. Berendsen",
- "Par Bjelkmar", "Christian Blau", "Viacheslav Bolnykh", "Kevin Boyd",
- "Aldert van Buuren", "Rudi van Drunen", "Anton Feenstra", "Alan Gray",
- "Gerrit Groenhof", "Anca Hamuraru", "Vincent Hindriksen", "M. Eric Irrgang",
- "Aleksei Iupinov", "Christoph Junghans", "Joe Jordan", "Dimitrios Karkoulis",
- "Peter Kasson", "Jiri Kraus", "Carsten Kutzner", "Per Larsson",
- "Justin A. Lemkul", "Viveca Lindahl", "Magnus Lundborg", "Erik Marklund",
- "Pascal Merz", "Pieter Meulenhoff", "Teemu Murtola", "Szilard Pall",
- "Sander Pronk", "Roland Schulz", "Michael Shirts", "Alexey Shvetsov",
- "Alfons Sijbers", "Peter Tieleman", "Jon Vincent", "Teemu Virolainen",
- "Christian Wennberg", "Maarten Wolf", "Artem Zhmurov"
- };
+ // Contributors sorted alphabetically by last name
+ static const char* const Contributors[] = { "Andrey Alekseenko",
+ "Emile Apol",
+ "Rossen Apostolov",
+ "Paul Bauer",
+ "Herman J.C. Berendsen",
+ "Par Bjelkmar",
+ "Christian Blau",
+ "Viacheslav Bolnykh",
+ "Kevin Boyd",
+ "Aldert van Buuren",
+ "Rudi van Drunen",
+ "Anton Feenstra",
+ "Oliver Fleetwood",
+ "Gaurav Garg",
+ "Gilles Gouaillardet",
+ "Alan Gray",
+ "Gerrit Groenhof",
+ "Anca Hamuraru",
+ "Vincent Hindriksen",
+ "M. Eric Irrgang",
+ "Aleksei Iupinov",
+ "Christoph Junghans",
+ "Joe Jordan",
+ "Dimitrios Karkoulis",
+ "Peter Kasson",
+ "Jiri Kraus",
+ "Carsten Kutzner",
+ "Per Larsson",
+ "Justin A. Lemkul",
+ "Viveca Lindahl",
+ "Magnus Lundborg",
+ "Erik Marklund",
+ "Pascal Merz",
+ "Pieter Meulenhoff",
+ "Teemu Murtola",
+ "Szilard Pall",
+ "Sander Pronk",
+ "Roland Schulz",
+ "Michael Shirts",
+ "Alexey Shvetsov",
+ "Alfons Sijbers",
+ "Peter Tieleman",
+ "Jon Vincent",
+ "Teemu Virolainen",
+ "Christian Wennberg",
+ "Maarten Wolf",
+ "Artem Zhmurov" };
static const char* const CopyrightText[] = {
"Copyright (c) 1991-2000, University of Groningen, The Netherlands.",
"Copyright (c) 2001-2019, The GROMACS development team at",
- "Uppsala University, Stockholm University and", "the Royal Institute of Technology, Sweden.",
+ "Uppsala University, Stockholm University and",
+ "the Royal Institute of Technology, Sweden.",
"check out http://www.gromacs.org for more information."
};
writer->writeLine(formatCentered(78, "GROMACS is written by:"));
for (int i = 0; i < NCONTRIBUTORS;)
{
- for (int j = 0; j < 4 && i < NCONTRIBUTORS; ++j, ++i)
+ for (int j = 0; j < 3 && i < NCONTRIBUTORS; ++j, ++i)
{
- const int width = 18;
+ const int width = 26;
std::array<char, 30> buf;
const int offset = centeringOffset(width, strlen(Contributors[i]));
GMX_RELEASE_ASSERT(static_cast<int>(strlen(Contributors[i])) + offset < gmx::ssize(buf),
}
}
-// Construct a string that describes the library that provides FFT support to this build
-const char* getFftDescriptionString()
+//! Construct a string that describes the library that provides CPU FFT support to this build
+const char* getCpuFftDescriptionString()
{
// Define the FFT description string
#if GMX_FFT_FFTW3 || GMX_FFT_ARMPL_FFTW3
#endif
};
+//! Construct a string that describes the library that provides GPU FFT support to this build
+const char* getGpuFftDescriptionString()
+{
+ if (GMX_GPU)
+ {
+ if (GMX_GPU_CUDA)
+ {
+ return "cuFFT";
+ }
+ else if (GMX_GPU_OPENCL)
+ {
+ return "clFFT";
+ }
+ else if (GMX_GPU_SYCL)
+ {
+ return "unknown";
+ }
+ else
+ {
+ GMX_RELEASE_ASSERT(false, "Unknown GPU configuration");
+ return "impossible";
+ }
+ }
+ else
+ {
+ return "none";
+ }
+};
+
void gmx_print_version_info(gmx::TextWriter* writer)
{
writer->writeLine(formatString("GROMACS version: %s", gmx_version()));
#if GMX_DOUBLE
writer->writeLine("Precision: double");
#else
- writer->writeLine("Precision: single");
+ writer->writeLine("Precision: mixed");
#endif
writer->writeLine(formatString("Memory model: %u bit", static_cast<unsigned>(8 * sizeof(void*))));
#if GMX_THREAD_MPI
writer->writeLine("MPI library: thread_mpi");
#elif GMX_MPI
+# if HAVE_CUDA_AWARE_MPI
+ writer->writeLine("MPI library: MPI (CUDA-aware)");
+# else
writer->writeLine("MPI library: MPI");
+# endif
#else
writer->writeLine("MPI library: none");
#endif
#endif
writer->writeLine(formatString("GPU support: %s", getGpuImplementationString()));
writer->writeLine(formatString("SIMD instructions: %s", GMX_SIMD_STRING));
- writer->writeLine(formatString("FFT library: %s", getFftDescriptionString()));
- writer->writeLine(formatString("RDTSCP usage: %s", HAVE_RDTSCP ? "enabled" : "disabled"));
+ writer->writeLine(formatString("CPU FFT library: %s", getCpuFftDescriptionString()));
+ writer->writeLine(formatString("GPU FFT library: %s", getGpuFftDescriptionString()));
+#if GMX_TARGET_X86
+ writer->writeLine(formatString("RDTSCP usage: %s", GMX_USE_RDTSCP ? "enabled" : "disabled"));
+#endif
#if GMX_USE_TNG
writer->writeLine("TNG support: enabled");
#else
#if HAVE_EXTRAE
unsigned major, minor, revision;
Extrae_get_version(&major, &minor, &revision);
- writer->writeLine(formatString("Tracing support: enabled. Using Extrae-%d.%d.%d", major,
- minor, revision));
+ writer->writeLine(formatString(
+ "Tracing support: enabled. Using Extrae-%d.%d.%d", major, minor, revision));
#else
writer->writeLine("Tracing support: disabled");
#endif
* them. Can wait for later, as the master branch has ready code to do all
* that. */
writer->writeLine(formatString("C compiler: %s", BUILD_C_COMPILER));
- writer->writeLine(formatString("C compiler flags: %s", BUILD_CFLAGS));
+ writer->writeLine(formatString(
+ "C compiler flags: %s %s", BUILD_CFLAGS, CMAKE_BUILD_CONFIGURATION_C_FLAGS));
writer->writeLine(formatString("C++ compiler: %s", BUILD_CXX_COMPILER));
- writer->writeLine(formatString("C++ compiler flags: %s", BUILD_CXXFLAGS));
-#ifdef HAVE_LIBMKL
+ writer->writeLine(formatString(
+ "C++ compiler flags: %s %s", BUILD_CXXFLAGS, CMAKE_BUILD_CONFIGURATION_CXX_FLAGS));
+#if HAVE_LIBMKL
/* MKL might be used for LAPACK/BLAS even if FFTs use FFTW, so keep it separate */
- writer->writeLine(formatString("Linked with Intel MKL version %d.%d.%d.", __INTEL_MKL__,
- __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
+ writer->writeLine(formatString(
+ "Intel MKL version: %d.%d.%d", __INTEL_MKL__, __INTEL_MKL_MINOR__, __INTEL_MKL_UPDATE__));
#endif
-#if GMX_GPU == GMX_GPU_OPENCL
+#if GMX_GPU_OPENCL
writer->writeLine(formatString("OpenCL include dir: %s", OPENCL_INCLUDE_DIR));
writer->writeLine(formatString("OpenCL library: %s", OPENCL_LIBRARY));
writer->writeLine(formatString("OpenCL version: %s", OPENCL_VERSION_STRING));
#endif
-#if GMX_GPU == GMX_GPU_CUDA
+#if GMX_GPU_CUDA
writer->writeLine(formatString("CUDA compiler: %s", CUDA_COMPILER_INFO));
- writer->writeLine(formatString("CUDA compiler flags:%s", CUDA_COMPILER_FLAGS));
+ writer->writeLine(formatString(
+ "CUDA compiler flags:%s %s", CUDA_COMPILER_FLAGS, CMAKE_BUILD_CONFIGURATION_CXX_FLAGS));
writer->writeLine("CUDA driver: " + gmx::getCudaDriverVersionString());
writer->writeLine("CUDA runtime: " + gmx::getCudaRuntimeVersionString());
#endif
+#if GMX_SYCL_DPCPP
+ writer->writeLine(formatString("SYCL DPC++ flags: %s", SYCL_DPCPP_COMPILER_FLAGS));
+ writer->writeLine("SYCL DPC++ version: " + gmx::getSyclCompilerVersion());
+#endif
+#if GMX_SYCL_HIPSYCL
+ writer->writeLine(formatString("hipSYCL launcher: %s", SYCL_HIPSYCL_COMPILER_LAUNCHER));
+ writer->writeLine(formatString("hipSYCL flags: %s", SYCL_HIPSYCL_COMPILER_FLAGS));
+ writer->writeLine(formatString("hipSYCL targets: %s", SYCL_HIPSYCL_TARGETS));
+ writer->writeLine("hipSYCL version: " + gmx::getSyclCompilerVersion());
+#endif
}
//! \endcond
// necessary to read stuff above the copyright notice.
// The line above the copyright notice puts the copyright notice is
// context, though.
- writer->writeLine(formatString("%sGROMACS: %s, version %s%s%s", prefix, name,
- gmx_version(), precisionString, suffix));
+ writer->writeLine(formatString(
+ "%sGROMACS: %s, version %s%s%s", prefix, name, gmx_version(), precisionString, suffix));
}
const char* const binaryPath = programContext.fullBinaryPath();
if (!gmx::isNullOrEmpty(binaryPath))
const gmx::InstallationPrefixInfo installPrefix = programContext.installationPrefix();
if (!gmx::isNullOrEmpty(installPrefix.path))
{
- writer->writeLine(formatString("%sData prefix: %s%s%s", prefix, installPrefix.path,
- installPrefix.bSourceLayout ? " (source tree)" : "", suffix));
+ writer->writeLine(formatString("%sData prefix: %s%s%s",
+ prefix,
+ installPrefix.path,
+ installPrefix.bSourceLayout ? " (source tree)" : "",
+ suffix));
}
const std::string workingDir = Path::getWorkingDirectory();
if (!workingDir.empty())
const char* const commandLine = programContext.commandLine();
if (!gmx::isNullOrEmpty(commandLine))
{
- writer->writeLine(formatString("%sCommand line:%s\n%s %s%s", prefix, suffix, prefix,
- commandLine, suffix));
+ writer->writeLine(formatString(
+ "%sCommand line:%s\n%s %s%s", prefix, suffix, prefix, commandLine, suffix));
}
if (settings.bExtendedInfo_)
{
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff