Errors in Installing Gromacs 4.5 in Windows 7 with Cygwin


Well, I am a Gromacs user, I am thinking about installing gromacs in windows, thus I could do some simple analysis more easily since my daliy work is all in Win 7 and SSH shell.

So I did some research online, and found some websites talking about this topic. But I didnit find a very clear way to do so. Then I tried to install Gromacs 4.5.5 by myself in my HP Prodesk, which has Win 7 64-bit OS with Cygwin.

Firstly, I tried to install FFTW 3.3.4, and things went quick well.
$ tar zxvf fftw-3.3.4.tar.gz
$ cd fftw-3.3.4
$ ./configure --prefix=/cygdrive/c/cygwin64/home/user/software/fftw-3.3.4 --enable-float --enable-shared
$ make
$ make install
So far, everything was okay.

Then, I downloaded Gromacs-4.5.5.tar.gz and copy to installation folder. And I unzip it and configure it, following by  "make -j 4", which gave me errors.

Thus I added some commands in ./configure step.
Later, I tried the following commands and still some error massage.

$./configure --disable-threads --with-fft=fftw3 CPPFLAGS="-I/cygdrive/c/cygwin64/home/user/software/fftw-3.3.4/include" LDFLAGS="-L/cygdrive/c/cygwin64/home/user/software/fftw-3.3.4/lib" --enable-float --disable-mpi --without-xml
$ make -j 4

The error massage is as following:
and 


After searching online, some people suggest should re-install fftw 3 with --enable-shared. But I tried this and failed again but with different error massages.

Comments

Popular posts from this blog

A step-by-step tutorial to perform PCA with Gromacs MD trajectory

Fixing bugs in FF14SB port for Gromacs

Install new amber force fields ports in Gromacs