[gmx-users] Compiling Error with icce

[Florian Haberl]

As i wrote some days ago compiling failed, so i asked someone who^s common 
with such errors ( thanks to Thomas Zeiser,  
thomas.zeiser at rrze.uni-erlangen.de for fixing this for me) 

He meant it has something to do with  
- login shell (tcsh)
- parsing to icc

so Makefile won^t work.

Workaround:

./configure with options

vi {src/gmxlib/Makefile,src/kernel/Makefile} 
and add """ in the lines with -DGMXLIBDIR='\"$(datadir)/top\"' 

make
make install

Used versions:

- intel_cce_81-024
- intel_fce_81-021
- mpich-1.2.6-ib-intel81-64
- tcsh 6.11.00 as login shell

On a dual xeon 3.2 ghz emt64 machine.

But i got still a not answered question:
Is it useless or useful compile gromacs with intel compiler, will it get 
faster, or will it produce errors ?

Greetings,

Florian

-- 
-------------------------------------------------------------------------------
 Florian Haberl                            Universitaet Erlangen/
 Computer-Chemie-Centrum    Nuernberg
                                                      Naegelsbachstr. 25
                                                      D-91052 Erlangen
  Mailto: florian.haberl AT chemie.uni-erlangen.de
 -------------------------------------------------------------------------------