[gmx-users] install

David spoel at xray.bmc.uu.se
Mon Sep 5 17:04:57 CEST 2005


On Mon, 2005-09-05 at 15:35 +0100, Joanne Hanna wrote:
> Hi
> 
> I receive the following messages during a fftw and gromacs install, are these normal?
> 
> ./configure stage fftw (single and double)
> 
> checking for dummy main to link with Fortran 77 libraries... none
> checking for BSDgettimeofday... no
> checking for gethrtime... no
> checking for hrtime_t... no
> checking whether cc accepts "-fkeep-programmers-inline"... no
> checking whether cc accepts "-vomit-frame-pointer"... no
> 
> gromacs ./configure
> 
> checking for special C compiler options needed for large files... no
> checking for _FILE_OFFSET_BITS value needed for large files... 64
> checking for _LARGE_FILES value needed for large files... no
> checking for _doprnt... no
> checking if malloc debugging is wanted... no
> 
> make (gromacs)
> 
> >>> This is the GROMACS code generator for MD & MC inner loops
> >>> It will generate single precision C code in file innerc.c
> >>> Using fast inline assembly gcc/x86 truncation. Since we are changing
>     the control word this might affect the numerical result slightly.
> >>> Using gromacs invsqrt code
> >>> Inlining gromacs invsqrt code
> >>> Using normal solvent optimized loops
> >>> Prefetching forces in loops: none
> >>> Nonthreaded inner loops
> >>> Vectorizing invsqrt in loops:none
> >>> Generated 42963 lines of code in 156 functions
> (innerc.c may take a while to compile)
> 
> Sorry if the answers are very obvious, I haven't done a lot of compiling and was worried as to whether the no's should be yes's and whether i need to define something extra.
When there is something crucial missing it will tell you, or e.g. when
you are missing an important feature. This is just fine.

> 
> Thanks
> Jo
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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