Fixes for FFT libraries
authorRoland Schulz <roland@utk.edu>
Mon, 4 Jun 2012 15:56:42 +0000 (11:56 -0400)
committerRoland Schulz <roland@utk.edu>
Wed, 4 Jul 2012 02:37:06 +0000 (22:37 -0400)
commitd75b7537ed4df95fd3796d9432e9c1e64adec26a
treee4db4307afdd92c7bc82e2b66131f0fc0d702d23
parent14fd0b7b4cfd55419675e09b26b8905fff90fe60
Fixes for FFT libraries

- Updated documentation
- Added gmx_fft_cleanup for any cleanup after using FFT
    (removing memory leak otherwise caused by FFTW)
- Replaced TMPI_THREAD_MUTEX_INITIALIZER with tMPI::mutex
    (otherwise tmpi leaks memory)

Change-Id: If3e9012da14ebf74d87d4d4647c2f17bd8380fc1
src/gromacs/legacyheaders/gmx_fft.h
src/gromacs/legacyheaders/gmx_parallel_3dfft.h
src/gromacs/legacyheaders/gmxcomplex.h
src/gromacs/mdlib/CMakeLists.txt
src/gromacs/mdlib/fft5d.cpp [moved from src/gromacs/mdlib/fft5d.c with 98% similarity]
src/gromacs/mdlib/fft5d.h
src/gromacs/mdlib/gmx_fft.c
src/gromacs/mdlib/gmx_fft_fftpack.c
src/gromacs/mdlib/gmx_fft_fftw3.cpp [moved from src/gromacs/mdlib/gmx_fft_fftw3.c with 95% similarity]
src/gromacs/mdlib/gmx_fft_mkl.c
src/gromacs/mdlib/gmx_parallel_3dfft.c