mirror of https://gitlab.com/QEF/q-e.git
96 lines
4.0 KiB
Plaintext
96 lines
4.0 KiB
Plaintext
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----------------------------------------------------------------------------
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CONFIGURATION FILES
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You shouldn't need to edit the following files. The two first are
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automatically generated by "configure".
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* include/fft_defs.h
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==================
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automatically generated by configure using include/fft_defs.h.in
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as template - included in Modules/fft_scalar.f90
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contains the type for C pointers called by fortran:
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C_POINTER is integer*8 for 64-bit machines,
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integer*4 on most other machines
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DO NOT add C-style comments! some fortran compilers do not like them
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* include/c_defs.h
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================
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automatically generated by configure using include/c_defs.h.in
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as template - included in C files in clib/ . Contains:
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1) #define HAVE_MALLINFO
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if the mallinfo structure is present (Linux, AIX)
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2) Macros redefining C symbols so that Fortran finds them
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F77_FUNC, F77_FUNC_
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C routine 'name' in *.c files are defined as
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F77_FUNC('name','NAME')
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if 'name' does not contain an underscore; if it does, as
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F77_FUNC_('name','NAME')
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Absoft: convert to capital, no added underscores
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#define F77_FUNC(name,NAME) NAME
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#define F77_FUNC_(name,NAME) NAME
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XLF, HP-UX: convert to lowercase, no added underscores
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#define F77_FUNC(name,NAME) name
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#define F77_FUNC_(name,NAME) name
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G95, EKOPath, Alpha Linux: convert to lowercase, add one underscore
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if the name does not contain underscores, add two if it does
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#define F77_FUNC(name,NAME) name ## _
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#define F77_FUNC_(name,NAME) name ## __
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Most other cases: convert to lowercase, add one underscore
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#define F77_FUNC(name,NAME) name ## _
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#define F77_FUNC_(name,NAME) name ## _
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* include/f_defs.h
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================
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OBSOLETE - DO NOT USE ANY LONGER
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* iotk/include/iotk_config.h
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=========================
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contains definitions for iotk . Defines on output:
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__IOTK_REAL1 kind for single-precision reals
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__IOTK_REAL2 kind for double-precision reals
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__IOTK_WORKAROUND* various workarounds for miscellaneous compiler bugs
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----------------------------------------------------------------------------
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PREPROCESSING OPTIONS USED IN *.h FILES AND IN THE SOURCES
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Hardware/Compiler:
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__STD_F95 Standard F95: no allocatable in arrays
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__AIX Ibm rs/6000 machines
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__XLF xlf compiler (ibm or macintosh with powerpc processor)
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__ALTIX sgi altix 350/3000 machines running Linux
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__SX6 Nec sx-6 vector machines (Nec compiler)
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__PGI Portland Group compiler (workarounds for compiler bugs)
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__GFORTRAN gnu gfortran (workarounds for compiler bugs)
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__INTEL Intel ifc and ifort compilers (workaround for compiler
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bugs and for insufficient stack size)
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OS:
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Parallel execution:
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__PARA Parallel execution (currently using MPI)
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__MPI Use MPI library
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__OPENMP OpenMP parallelization (experimental)
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Libraries:
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__FFTW FFT routines from internal FFTW library
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__FFTW3 FFT routines from external FFTW v.3 library
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__ACML FFT routines from ACML for AMD CPUs
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__SCSL FFT routines from SGI SCSL scientific library
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__SUNPERF FFT routines from SUN sunperf scientific library
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__ESSL use blas/lapack/fft routines from IBM ESSL library
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__LINUX_ESSL use blas/lapack/fft routines from IBM ESSL library
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(linux version)
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__SCALAPACK use Scalapack routines instead of internal ones
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for parallel subspace diagonalization
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__MASS use mathematical routines from IBM MASS library
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ASL, MICRO SX-6 specific libraries
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Timing:
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__HPM Hardware Performance Monitor (IBM SP)
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__QK_USER__ for better timing of fftw in cray xt3 (?)
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Signals:
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__TRAP_SIGUSR1 Enable signal trapping (experimental): code will stop
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and save data if executable is signaled with USR1
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