[gmx-users] Compiling on SGI

[Erik Lindahl]

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