WebNov 22, 2024 · My aim is just to test FFTW on a one dimensional example. I've already installed everything, following the instructions. When I try to compile: gfortran fftg.f90 -L/usr/local/lib -lfftw3 The terminal is giving the error: /usr/bin/ld : can't find -lfftw3 WebWe recommend FFTW (version 3 or higher only) or Intel MKL. The choice of library can be set with cmake -DGMX_FFT_LIBRARY=, where is one of fftw3 , mkl, or …
安装gromacs过程中不出现fftw338文件夹的问题求助解决 - 分子 …
WebJun 17, 2016 · To install the FFTW library file, I used apt-get to install the package in Lint's repositories, which is in the standard location /usr/lib/x86_64-linux-gnu/libfftw3.*. The problem can be fixed by passing … WebApr 7, 2024 · Re: Question about VASP 6.3.2 with NVHPC+mkl. #2 by alexey.tal » Tue Mar 28, 2024 3:31 pm. Dear siwakorn_sukharom, I think that such combination (NVHPC + intel mkl + MPICH) should be possible. What appears to be a problem? In the makefile.include you need to provide the paths for the libraries and the compilers (see the details here ). nova scotia dept of environment
[gmx-users] Build failure - Gromacs 5.1.4 on Windows 10 64-bit
WebAug 3, 2024 · 1 Answer Sorted by: 0 I downloaded the libfftw_mpi.so and librfftw_mpi.so libraries by typing: sudo apt-get install fftw-dev and by relocating them to the appropriate path. However, a new problem arose, namely: WebCannot find FFTW 3 (with correct precision - libfftw3f for mixed-precision GROMACS or libfftw3 for double-precision GROMACS). Either choose the right precision, choose another FFT(W) library (-DGMX_FFT_LIBRARY), enable the advanced option to let GROMACS build FFTW 3 for you (-GMX_BUILD_OWN_FFTW=ON), or use the really slow … WebJul 17, 2015 · 3 You can use the Unix command locate to determine the location of the FFTW header files $ locate fftw3.h /usr/local/include/fftw3.h If you install FFTW 3 from source the header file fftw3.h should be placed in /usr/local/include/ by default. nova scotia deputy minister of health