On Tue, Nov 8, 2011 at 11:59 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote:
> On 8/11/2011 11:35 PM, Szilárd Páll wrote: > >> Hi, >> >> There have been quite some discussion on the topic of GROMACS on >> Cygwin so please search the mailing list for information. >> > > Actually I don't think this issue has been addressed. Some NUMA-aware > thread_mpi stuff does not work under Cygwin, and code added since 4.5.4 > assumes that it does. I can find no reason to support that assumption. > > To work around, use configure --disable-threads. > > > >> 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 >> > > I'd be surprised. Why should MSVC outperform gcc? That statement was based on my previous experience which, admittedly, might be outdated. I don't remember the exact details, but from what I recall, the I had to fiddle quite a lot with gcc optimizations to get the performance close to MSVC. One detail might be important: the code I was working on is C/C++ mix which quite a lot of ++ in it. Anyway, to get a better picture, it would be nice if people running GROMACS on Windows could share their experience/performance numbers. -- Szilárd > Mark > > > though. >> Cheers, >> -- >> Szilárd >> >> >> >> On Tue, Nov 8, 2011 at 12:41 PM,<bh...@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<http://cs.org/pipermail/gmx-users/2009-September/044792.html> >>> >>> The error arises only for version Gromacs 4.5.5 >>> >>> >>> Igor >>> >>> >>> -- >>> gmx-users mailing list gmx-users@gromacs.org >>> http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> >>> Please search the archive at http://www.gromacs.org/** >>> Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before >>> posting! >>> Please don't post (un)subscribe requests to the list. Use the >>> www interface or send it to gmx-users-requ...@gromacs.org. >>> Can't post? Read >>> http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >>> >>> > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/Search>before > posting! > Please don't post (un)subscribe requests to the list. Use the www > interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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