[gmx-users] CygWin and Gromacs 4.5.5

[Mr Bernard Ramos]

yes, I have also experience the same with Gromacs 4.5.5 and cygwin. I hope this issue will be addressed.Thanks



________________________________
From: Roland Schulz <roland at utk.edu>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Sent: Wednesday, November 9, 2011 11:03 AM
Subject: Re: [gmx-users] CygWin and Gromacs 4.5.5





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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