[gmx-users] CygWin and Gromacs 4.5.5

[Szilárd Páll]

Hi,

There have been quite some discussion on the topic of GROMACS on
Cygwin so please search the mailing list for information.

Some of that information might have not gone into the wiki
(http://goo.gl/ALQuC) - especially that the page appears to be intact
for the last 7 months. [Which is a pity and it would be really much
appreciated if people in the future contribute back!!!]

Additionally, AFAIK you will get better performance if you compile
with MSVC which should be fairly easy if you use CMake - I'm not
entirely sure about this
though.
Cheers,
--
Szilárd



On Tue, Nov 8, 2011 at 12:41 PM,  <bhf70 at udsu.ru> wrote:
> Help me.
> I want to install Gromacs 4.5.5 with usage CygWin.
> When I execute a command "make" I receive the error report:
>
> numa_malloc.c:117: error: expected '> ' before ' Processor'
> numa_malloc.c:117: error: expected '> ' before ' ProcNumber'
> numa_malloc.c:117: error: expected ' = ', ', ', '; ', ' asm '
> or.....................
> ...
> make [3]: *** [numa_malloc.lo] Error 1
> make [3]: leaving directory '/cygdrive/.....
> gromacs4.5.5/src/gmxlib/thread_mpi'
> make [3]: *** [install-recursive] Error 1
> make [3]: leaving directory '/cygdrive/..... gromacs4.5.5/src/gmxlib'
> make [3]: *** [install-recursive] Error 1
> make [3]: leaving directory '/cygdrive/..... gromacs4.5.5/src'
> make [3]: *** [install-recursive] Error 1
>
> Where an error?
>
>
> CygWin it is installed with packets:
> Section "Devel"
> - autoconf: Wrapper scripts for autoconf commands
> - autoconf2.1: Stable version of the automatic configure script builder
> - autoconf2.5: Development version of the automatic configure script builder
> - automake1.9: a tool for generating GNU-compliant Makefiles
> - binutils: The GNU assembler, linker and binary utilites
> - gcc: A C compiler upgrade helper
> - gcc-core: A C compiler
> - gcc-g ++: A C ++ compiler
> - gcc-g77: Fortran compiler
> - gcc-mingw-core: Mingw32 support headers and libraries for GCC
> - gcc-mingw-g ++: Mingw32 support headers and libraries for GCC A C ++
> - gcc-mingw-g77: Mingw32 support headers and libraries for GCC Fortran
> - libgcc1: GCC compiler support shared runtime
> - libgdbm-devel: GNU dbm database routines (development)
> - make: The GNU version of the ` make ` utility
> - mingw-runtime: MinGW Runtime
>
> Section "Interpreters"
> - perl: Larry Wall ` s Practical Extracting and Report Language
>
> Packet FFTW ver.3.2.2 is in addition compiled and installed
>
> Trial setting Gromacs of 4.5.3 errors does not give.
>
> The instruction on setting took here:
> http://lists.groma cs.org/pipermail/gmx-users/2009-September/044792.html
>
> The error arises only for version Gromacs 4.5.5
>
>
> Igor
>
>
> --
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