[gmx-users] CygWin and Gromacs 4.5.5

[Roland Schulz]

On Tue, Nov 8, 2011 at 5:59 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> On 8/11/2011 11:35 PM, Szilárd Páll wrote:
> > 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
>
> I'd be surprised. Why should MSVC outperform gcc?
>
The file performance is horrible with cygwin (even much slower than a
virtual machine). But this should only be important for analysis. For
simulation I agree that the performance should be as good  (I don't know
about NUMA) .

Roland

>
> Mark
>
> > 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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>
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