[gmx-users] Another Compiling Adventure

[K.A.Feenstra]

Hank deHaan wrote:
> 
> Hello All
> 
> I'm attempting to compile gromacs (version 2.0) on a Beowulf built from
> Alpha chips running Linux.  The compaq C/Fortran compilers are installed,
> but when i go to build it, I get the following error:

Sorry, but we don't support 2.0 any more. 
I hope my comments below will convince you to use 3.0 in stead.

> Another question,
> I'd like to install Gromacs version 3,
> but i don't think the system admins will want to change the lam version
> for me, is there any way to complile with a (slightly) different
> version than the one required by Gromaces 3?

Compiling agains a different lam version is no problem, it is just
that the pre-compiled .rpm requires the exact lam version.

> how about getting around having those fast-fourier libraries installed?

If you leave the fft out, you can't use PME long range interactions.
So if you don't need PME, you don't need fft.

-- 
Groetjes,

Anton
 _____________ _____________________________________________________
|             | Anton Feenstra       Dept. of Biophysical Chemistry |
|  _   _  ___,| K.A.Feenstra at chem.rug.nl    University of Groningen |
| / \ / \'| | | Tel +31 50 363 4327                    Nijenborgh 4 |
|(   |   )| | | Fax +31 50 363 4800               9747 AG Groningen |
| \_/ \_/ | | | http://md.chem.rug.nl/~anton        The Netherlands |
|             | "Make the Floor Burn" (2 Unlimited)                 |
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