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37 /*! \libinternal \file
39 * Include file for configuration macros from the build system.
41 * This header is not installed, so headers must not reference macros defined
49 /* TODO: For now, disable Doxygen warnings from here */
52 /* Work around broken calloc() */
53 #cmakedefine01 GMX_BROKEN_CALLOC
55 /* Do not optimize FFTW setups (not needed with SSE FFT kernels) */
56 #cmakedefine01 GMX_DISABLE_FFTW_MEASURE
58 /* Use FFTW3 FFT library */
59 #cmakedefine01 GMX_FFT_FFTW3
61 /* Use the ARM Performance library with FFTW3 compatibility */
62 #cmakedefine01 GMX_FFT_ARMPL_FFTW3
64 /* Use MKL FFT library */
65 #cmakedefine01 GMX_FFT_MKL
67 /* Use built in fftpack FFT library */
68 #cmakedefine01 GMX_FFT_FFTPACK
70 /* Target platform is x86 or x86_64 */
71 #cmakedefine01 GMX_TARGET_X86
73 /** Define if we are building natively on Windows */
74 #cmakedefine01 GMX_NATIVE_WINDOWS
76 /** Define if we are building for Cygwin */
77 #cmakedefine01 GMX_CYGWIN
79 /* SSE2 was selected for SIMD instruction set level */
80 #cmakedefine01 GMX_SIMD_X86_SSE2
82 /* SSE4.1 was selected as SIMD instructions */
83 #cmakedefine01 GMX_SIMD_X86_SSE4_1
85 /* AVX 128-bit FMA was selected as SIMD instructions */
86 #cmakedefine01 GMX_SIMD_X86_AVX_128_FMA
88 /* AVX 256-bit was selected as SIMD instructions */
89 #cmakedefine01 GMX_SIMD_X86_AVX_256
91 /* AVX2 256-bit SIMD instruction set level was selected */
92 #cmakedefine01 GMX_SIMD_X86_AVX2_256
94 /* AVX2 128-bit SIMD instruction set level was selected */
95 #cmakedefine01 GMX_SIMD_X86_AVX2_128
97 /* AVX-512F foundation level instruction SIMD */
98 #cmakedefine01 GMX_SIMD_X86_AVX_512
100 /* AVX-512ER foundation level instruction SIMD */
101 #cmakedefine01 GMX_SIMD_X86_AVX_512_KNL
103 /* ARM (AArch64) NEON Advanced SIMD instruction set level was selected */
104 #cmakedefine01 GMX_SIMD_ARM_NEON_ASIMD
106 /* ARM (SVE) Scalable Vector extensions */
107 #cmakedefine01 GMX_SIMD_ARM_SVE
109 /* SVE vector length */
110 #define GMX_SIMD_ARM_SVE_LENGTH_VALUE @GMX_SIMD_ARM_SVE_LENGTH_VALUE@
112 /* IBM VSX was selected as SIMD instructions (Power 7 and later) */
113 #cmakedefine01 GMX_SIMD_IBM_VSX
115 /* Reference SIMD implementation for testing */
116 #cmakedefine01 GMX_SIMD_REFERENCE
118 /* String for SIMD instruction choice (for writing to log files and stdout) */
119 #define GMX_SIMD_STRING "@GMX_SIMD_ACTIVE@"
121 /* Calling convention string (if any) for routines with SIMD variable args */
122 #define gmx_simdcall @GMX_SIMD_CALLING_CONVENTION@
124 /* Target mantissa accuracy for SIMD single precision math */
125 #define GMX_SIMD_ACCURACY_BITS_SINGLE @GMX_SIMD_ACCURACY_BITS_SINGLE@
127 /* Target mantissa accuracy for SIMD double precision math */
128 #define GMX_SIMD_ACCURACY_BITS_DOUBLE @GMX_SIMD_ACCURACY_BITS_DOUBLE@
130 /* Enable code that requires AVX-512 instruction support, without GMX_SIMD=AVX_512 */
131 #cmakedefine01 SIMD_AVX_512_CXX_SUPPORTED
133 /* Whether NBNXM and other SIMD kernels should be compiled */
134 #cmakedefine01 GMX_USE_SIMD_KERNELS
136 /* Integer byte order is big endian. */
137 #cmakedefine01 GMX_INTEGER_BIG_ENDIAN
139 /* Use our own instead of system XDR libraries */
140 #cmakedefine01 GMX_INTERNAL_XDR
142 /* Compile to use TNG library */
143 #cmakedefine01 GMX_USE_TNG
145 /* Add support for tracing using Extrae */
146 #cmakedefine01 HAVE_EXTRAE
148 /* Use MPI (with mpicc) for parallelization */
149 #cmakedefine01 GMX_LIB_MPI
151 /* Use threads_mpi for parallelization */
152 #cmakedefine01 GMX_THREAD_MPI
154 /* Make a parallel version of GROMACS using message passing
155 (MPI or thread_mpi) */
156 #define GMX_MPI (GMX_LIB_MPI || GMX_THREAD_MPI)
158 /* Use OpenMP multithreading */
159 #cmakedefine01 GMX_OPENMP
161 /* Use the Portable Hardware Locality package (hwloc) */
162 #cmakedefine01 GMX_USE_HWLOC
164 /* Library version found for hwloc during configuration time */
165 #define GMX_HWLOC_API_VERSION @GMX_HWLOC_API_VERSION@
167 /* Can and should use nice(3) to set priority */
168 #cmakedefine01 GMX_USE_NICE
170 /* Maximum number of OpenMP threads supported */
171 #define GMX_OPENMP_MAX_THREADS @GMX_OPENMP_MAX_THREADS@
173 /* Use if we cannot rename checkpoints */
174 #cmakedefine01 GMX_NO_RENAME
176 /* Use sub-counters */
177 #cmakedefine01 GMX_CYCLE_SUBCOUNTERS
179 /* Compile with plugin support */
180 #cmakedefine01 GMX_USE_PLUGINS
182 /* Fallback path for VMD plug-ins */
183 #define GMX_VMD_PLUGIN_PATH "@GMX_VMD_PLUGIN_PATH@"
185 /* Default path for DSSP program */
186 #define GMX_DSSP_PROGRAM_PATH "@GMX_DSSP_PROGRAM_PATH@"
188 /* Define when pthreads are used */
189 #cmakedefine THREAD_PTHREADS
191 /* Define when Windows threads are used */
192 #cmakedefine THREAD_WINDOWS
194 /* Define for busy wait option */
195 /* See gmxpre-config.h.cmakein for explanation for the #ifndef */
196 #ifndef TMPI_WAIT_FOR_NO_ONE
197 #cmakedefine01 TMPI_WAIT_FOR_NO_ONE
200 /* Define for copy buffer option */
201 #cmakedefine TMPI_COPY_BUFFER
203 /* Define for tmpi warnings option */
204 #cmakedefine TMPI_WARNINGS
206 /* Define for profiling option */
207 #cmakedefine TMPI_PROFILE
209 /* Define for Linux pthread_setaffinity_np */
210 #cmakedefine HAVE_PTHREAD_SETAFFINITY
212 /* Define for X-Windows */
213 #cmakedefine01 GMX_X11
215 /* Enable x86 gcc inline assembly */
216 #cmakedefine01 GMX_X86_GCC_INLINE_ASM
218 /* Define if any type of GPU acceleration is compiled */
219 #cmakedefine01 GMX_GPU
221 /* Define if CUDA GPU acceleration is compiled */
222 #cmakedefine01 GMX_GPU_CUDA
224 /* Define if OpenCL GPU acceleration is compiled */
225 #cmakedefine01 GMX_GPU_OPENCL
227 /* Define if SYCL GPU acceleration is compiled */
228 #cmakedefine01 GMX_GPU_SYCL
230 /* Define if hipSYCL is used for SYCL support (otherwise DPCPP is assumed) */
231 #cmakedefine01 GMX_SYCL_HIPSYCL
233 /* Define if Intel's DPCPP is used (default unless hipSYCL is chosen) */
234 #define GMX_SYCL_DPCPP (!GMX_SYCL_HIPSYCL && GMX_GPU_SYCL)
236 /* Use a single compilation unit when compiling the CUDA (non-bonded) kernels. */
237 #cmakedefine01 GMX_CUDA_NB_SINGLE_COMPILATION_UNIT
239 /* Use CUDA-aware MPI. */
240 #cmakedefine01 HAVE_CUDA_AWARE_MPI
242 /* Define if HeFFTe library found */
243 #cmakedefine01 Heffte_FOUND
245 /* Cluster size used by nonbonded kernel. Should be 8 for NVIDIA/AMD and 4 for Intel */
246 #define GMX_GPU_NB_CLUSTER_SIZE @GMX_GPU_NB_CLUSTER_SIZE@
248 /* Define constants for build types (starting at 1 to make sure undefined values don't match) */
249 #define CMAKE_BUILD_TYPE_DEBUG 1
250 #define CMAKE_BUILD_TYPE_RELEASE 2
251 #define CMAKE_BUILD_TYPE_RELWITHDEBINFO 3
252 #define CMAKE_BUILD_TYPE_MINSIZEREL 4
253 #define CMAKE_BUILD_TYPE_REFERENCE 5
254 #define CMAKE_BUILD_TYPE_RELWITHASSERT 6
255 #define CMAKE_BUILD_TYPE_PROFILE 7
256 #define CMAKE_BUILD_TYPE_TSAN 8
257 #define CMAKE_BUILD_TYPE_ASAN 9
258 #define CMAKE_BUILD_TYPE_MSAN 10
259 #define CMAKE_BUILD_TYPE_UBSAN 11
260 #cmakedefine CMAKE_BUILD_TYPE CMAKE_BUILD_TYPE_@CMAKE_BUILD_TYPE_UPPER@
262 /* Define relative path to OpenCL kernels */
263 #define GMX_INSTALL_OCLDIR "@GMX_INSTALL_OCLDIR@"
265 /* Minimum required OpenCL version support (both API and device) - split into integer components for convenience */
266 #define REQUIRED_OPENCL_MIN_VERSION_MAJOR @REQUIRED_OPENCL_MIN_VERSION_MAJOR@
267 #define REQUIRED_OPENCL_MIN_VERSION_MINOR @REQUIRED_OPENCL_MIN_VERSION_MINOR@
269 /* Define to 1 if fseeko (and presumably ftello) exists and is declared. */
270 #cmakedefine01 HAVE_FSEEKO
272 /* Define to 1 if _fseeki64 (and presumably _fseeki64) exists and is declared. */
273 //NOLINTNEXTLINE(bugprone-reserved-identifier)
274 #cmakedefine01 HAVE__FSEEKI64
276 /* Have io.h (windows)*/
277 #cmakedefine01 HAVE_IO_H
279 /* Define to 1 if you have the posix_memalign() function. */
280 #cmakedefine01 HAVE_POSIX_MEMALIGN
282 /* Define to 1 if you have the memalign() function. */
283 #cmakedefine01 HAVE_MEMALIGN
285 /* Define to 1 if you have the MSVC _aligned_malloc() function. */
286 //NOLINTNEXTLINE(bugprone-reserved-identifier)
287 #cmakedefine01 HAVE__ALIGNED_MALLOC
289 /* Define to 1 if you have the clock_gettime() function. */
290 #cmakedefine01 HAVE_CLOCK_GETTIME
292 /* Define to 1 if you have the gettimeofday() function. */
293 #cmakedefine01 HAVE_GETTIMEOFDAY
295 /* Define to 1 if you have the rdtscp instruction (ie essentially all x86 still in use. */
296 #cmakedefine01 GMX_USE_RDTSCP
298 /* Define to 1 if you have the fsync() function. */
299 #cmakedefine01 HAVE_FSYNC
301 /* Define to 1 if you have the Windows _commit() function. */
302 //NOLINTNEXTLINE(bugprone-reserved-identifier)
303 #cmakedefine01 HAVE__COMMIT
305 /* Define to 1 if you have the fileno() function. */
306 #cmakedefine01 HAVE_FILENO
308 /* Define to 1 if you have the _fileno() function. */
309 //NOLINTNEXTLINE(bugprone-reserved-identifier)
310 #cmakedefine01 HAVE__FILENO
312 /* Define to 1 if you have the sigaction() function. */
313 #cmakedefine01 HAVE_SIGACTION
315 /* Define for the GNU __builtin_clz() function. */
316 #cmakedefine01 HAVE_BUILTIN_CLZ
318 /* Define for the GNU __builtin_clzll() function. */
319 #cmakedefine01 HAVE_BUILTIN_CLZLL
321 /* Define for the MSVC _BitScanReverse() function. */
322 #cmakedefine01 HAVE_BITSCANREVERSE
324 /* Define for the MSVC _BitScanReverse64() function. */
325 #cmakedefine01 HAVE_BITSCANREVERSE64
327 /* Define for the IBM xlc++ __cntlz4() function. */
328 #cmakedefine01 HAVE_CNTLZ4
330 /* Define for the IBM xlc++ __cntlz8() function. */
331 #cmakedefine01 HAVE_CNTLZ8
333 /* Define to 1 if yo have the <unistd.h> header file. */
334 #cmakedefine HAVE_UNISTD_H
336 // Mac OS 13.x has a bug where dispatch.h generates an error for OpenCL builds if
337 // HAVE_UNISTD_H is merely defined, but not set to 1. Since unistd.h should always
338 // be available on this platform we simply undefine and redefine it to 1 for now
339 # undef HAVE_UNISTD_H
340 # define HAVE_UNISTD_H 1
343 /* Define to 1 if yo have the <pwd.h> header file. */
344 #cmakedefine01 HAVE_PWD_H
346 /* Define to 1 if yo have the <dirent.h> header file. */
347 #cmakedefine01 HAVE_DIRENT_H
349 /* Define to 1 if you have the <sys/time.h> header file. */
350 #cmakedefine HAVE_SYS_TIME_H
352 /* Define to 1 if you have the <sched.h> header */
353 #cmakedefine HAVE_SCHED_H
355 /* Define to 1 if mm_malloc.h is present, otherwise 0 */
356 #cmakedefine01 HAVE_MM_MALLOC_H
358 /* Define to 1 if malloc.h is present, otherwise 0 */
359 #cmakedefine01 HAVE_MALLOC_H
361 /* Define to 1 if xmmintrin.h is present, otherwise 0 */
362 #cmakedefine01 HAVE_XMMINTRIN_H
364 /* Define to 1 if you have the sysconf() function */
365 #cmakedefine HAVE_SYSCONF
367 /* Define to 1 if you have the all the affinity functions in sched.h */
368 #cmakedefine01 HAVE_SCHED_AFFINITY
370 /* Define to 1 if _mm_malloc() is present in either mm_malloc.h,
371 * malloc.h or xmmintrin.h, and 0 otherwise. Note that you need to
372 * conditionally include the three headers too before using _mm_malloc().
374 //NOLINTNEXTLINE(bugprone-reserved-identifier)
375 #cmakedefine01 HAVE__MM_MALLOC
377 /* Define if SIGUSR1 is present */
378 #cmakedefine01 HAVE_SIGUSR1
380 /* Enable gromacs quotes */
381 #cmakedefine01 GMX_COOL_QUOTES
383 /* default name mangling maybe wrong on exotic plattforms */
384 #define F77_FUNC(name,NAME) name ## _
386 /* Define if we have pipes */
387 #cmakedefine01 HAVE_PIPES
389 /* Define if we have feenableexcept */
390 #cmakedefine01 HAVE_FEENABLEEXCEPT
392 /* Define if we have fedisableexcept */
393 #cmakedefine01 HAVE_FEDISABLEEXCEPT
395 /* Define if we have MKL available */
396 #cmakedefine01 HAVE_LIBMKL
398 /* Define if we have lmfit support */
399 #cmakedefine01 HAVE_LMFIT
401 /* Define if we have muparser support */
402 #cmakedefine01 HAVE_MUPARSER
404 /* Build using clang analyzer */
405 #cmakedefine01 GMX_CLANG_ANALYZER
407 /* Use Interactive Molecular Dynamics */
408 #cmakedefine01 GMX_IMD