Thanks for the response. I tried building gromacs using cmake and the
procedure from the wiki. Are there custom flags that I have to pass to
cmake for it to work under cygwin? The cmake procedure seems to run fine
without any errors, but I cannot evoke any gromacs tool following
installation. I get the error:
$ g_energy -h
/usr/local/gromacs/bin/g_energy.exe: error while loading shared libraries:
cyggmxana-6.dll: cannot open shared object file: No such file or directory
I found info on the mailing list related to the absence of DLLs, but the
fix seemed to be applied to version 3.3.3
<http://lists.gromacs.org/pipermail/gmx-users/2009-May/042204.html>
Is there something I am missing?
Thanks,
Mike
On Jan 31 2011, Mark Abraham wrote:
On 01/31/11, [email protected] wrote:
Hello,
I am trying to install gromacs 4.5.3 on my desktop under Cygwin.
Using the installation procedure from the Wiki:
(<http://www.gromacs.org/Downloads/Installation_Instructions/Cygwin_HOWTO>
Install fftw-3.2.2 with ./configure --enable-sse --enable-float
make
make install
Then install gromacs with:
./configure --enable-shared LDFLAGS='-L/usr/local/lib'
make
The installation fails here with many errors not being able to find
libraries associated with fftw tracing back to this error:
*** Warning: This system can not link to static lib archive
/usr/local/lib/libfftw3f.la.
*** I have the capability to make that library automatically link in when
*** you link to this library. But I can only do this if you have a
*** shared version of the library, which you do not appear to have.
The installation procedure from the Wiki works fine with gromacs-4.0.7.
This error only occurs with the 4.5 series. Are there different default
settings for where gromacs looks for fftw between 4.0.7 and 4.5.3? Any help
would be appreciated.
I ran into the same issue a while back. I don't know what causes it. I
found that using a CMake-based build on Cygwin worked.
Mark
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