[gmx-users] Compiling on SGI

[Luca Monticelli]

Hi Erik

I found no problem in the configure script phase, so I decided to be very
rude: I modified the configure script in this way

#     xCFLAGS="-O3 -Ofast"
     xCFLAGS="-O3"

and now it seems to be working. I have no idea if the compiled mdrun will
be slower

cheers

luca


On Tue, 22 Jan 2002, Erik Lindahl wrote:

> Luca Monticelli wrote:
> 
> > Dear all,
> >
> > I am trying to install gmx-3.0.5 on an SGI R10000 workstation, using the
> > GNU compilers. Here is the error I get during the "make" step:
> >
> > >>> This is the GROMACS innerloop code generator
> > >>> It will generate single precision Fortran 77 code in file innerf.f
> > >>> Using normal solvent optimized loops
> > >>> Prefetching coordinates in loops: none
> > >>> Prefetching forces in loops: none
> > >>> Nonthreaded inner loops
> > >>> Delaying invsqrt and reciprocal
> > >>> Vectorizing invsqrt in loops:none
> > >>> Generated 23522 lines of code in 78 functions
> > (innerf.f may take a while to compile)
> >
> >         /bin/sh ../../libtool --mode=compile g77  -O3 -Ofast -c -o
> > innerf.lo `test -f innerf.f || echo './'`innerf.f
> > g77 -O3 -Ofast -c innerf.f
> > f771: Invalid option `-Ofast'
> > *** Error code 1 (bu21)
> > *** Error code 1 (bu21)
> > *** Error code 1 (bu21)
> > *** Error code 1 (bu21)
> >
> > It seems that the problem is this "-Ofast" option, right? Is there any way
> > to disable it, and get the program working?
> >
> > Thanks in advance
> >
> > Luca
> 
> Hi,
> 
> As far as I know noone has used this combo before, so we might set a bad
> set of default options. First, do you get any errors during the configure
> script
> phase? It should test the options for the C and F77 compilers, and tell you
> if
> they are bad.
> 
> You can always set your own options in the CFLAGS and FFLAGS environment
> variables before running configure.
> 
> Cheers,
> 
> Erik
> 
> 

-- 
    ___________________________________

    Luca Monticelli
    Department of Organic Chemistry
    University of Padova
    Via Marzolo, 1, 35131 Padova, ITALY
    tel: +39 49 827 5324
    fax: +39 49 827 5239
    e-mail: luca.monti at chor.unipd.it
    ___________________________________