mirror of https://gitlab.com/QEF/q-e.git
75 lines
3.1 KiB
Plaintext
75 lines
3.1 KiB
Plaintext
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----------------------------------------------------------------------------
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CONFIGURATION FILES
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* include/qe_version.h
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================
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Contains the current version of QE
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You should not need to edit the following files:
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* include/configure.h
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==================
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automatically generated by configure using include/configure.h.in
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as template - contains compilation info, usable for initial printout
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(define __HAVE_CONFIG_INFO in Modules/environ.f90 to use it;
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it is disabled by default due to potential problems with too long lines)
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* include/qe_cdefs.h
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================
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automatically generated by configure using include/qe_cdefs.h.in
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as template - included in C files in clib/ . Contains:
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#define HAVE_MALLINFO
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if the mallinfo structure is present (e.g. Linux)
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----------------------------------------------------------------------------
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PREPROCESSING OPTIONS USED IN *.h FILES AND IN THE SOURCES
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Predefined by specific compilers:
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_OPENMP OpenMP parallelization (all compilers)
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__GFORTRAN__ GNU gfortran
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__INTEL_COMPILER Intel compiler
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Hardware / Compiler:
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__AIX Ibm rs/6000 machines (obsolescent)
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__PGI Portland Group compiler workarounds for compiler bugs
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_WIN32 Windows 32-bits
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New algorithms:
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__NON_BLOCKING_SCATTER Use non-blocking algorithm for parallel FFTs
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__DOUBLE_BUFFER Use double buffer algorithm for parallel FFTs
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Parallel execution:
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__MPI MPI parallelization
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__MPI_MODULE Compile with "USE mpi" instead of "include 'mpif.h'"
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__MPI_NONBLOCKING Use nonblocking routines (e.g. mpi_ibcast, mpi_igatherv)
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Libraries:
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__FFTW FFT routines from internal FFTW library (default)
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__FFTW3 FFT routines from external FFTW v.3 library
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__DFTI FFT routines from Intel MKL library
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__LINUX_ESSL Use blas/lapack/fft routines from IBM ESSL library
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(linux version; aix version no longer supported)
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__SCALAPACK Use Scalapack routines instead of internal ones
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for parallel subspace diagonalization
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__ELPA_2015 Use ELPA library (compatible with ELPA 2015.x, 2016.05)
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__ELPA_2016 Use ELPA library (compatible with ELPA 2016.11, 2017.x, 2018.05)
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__ELPA Use ELPA library (compatible with ELPA 2018.11, 2019.x, 2020.x)
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__MASS Use mathematical routines from IBM MASS library
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(obsolete?)
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__SX6 Use MathKeisan libraries for NEC SX machines
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ASL, MICRO SX-6 specific libraries (obsolescent)
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Signals:
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__PTRACE Enable traceback
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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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IO / Reporting:
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__HDF5 Enable I/O using parallel HDF5 (Fortran 2003
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features needed to compile)
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__CLOCK_SECONDS Translate clock from HH:mm:ss to only seconds
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All other preprocessing flags are for debugging purposes and should not be
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used unless you know what you are doing
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