[gmx-users] sgi -r12000 flag

[Arvid Soederhaell]

Hi gromacs users

I'm trying to install gromacs 3.1.4 on an SGI origin having R12000 CPU's.
The configure script detects the cpu type but I get the following message: 

-----------------------------------------------------------------------
MIPSpro Compilers: Version 7.2.1 checking whether cc accepts -r12000 
-mips4 -O3 -OPT:IEEE_arithmetic=3 -OPT:rsqrt=ON -SWP:loop_overhead
-INLINE:=ON -LNO:opt=1 -LNO:ou_further=3
-OPT:Olimit=0:roundoff=3:alias=typed -woff 1174 -D__INLINE_INTRINSICS... 
no 
******************************************************************* *
Sorry, these optimization settings don't seem to work for * * your C
compiler. Use make CFLAGS=..., or edit the top Makefile. *
*******************************************************************
checking whether f77 accepts -r12000 -mips4 -O3 -OPT:IEEE_arithmetic=3
-OPT:rsqrt=ON -SWP:loop_overhead -INLINE:=ON -LNO:opt=1 -LNO:ou_further=3
-OPT:Olimit=0:roundoff=3:alias=typed -OPT:cray_ivdep=TRUE... f77 ERROR
parsing -r12000:  unknown flag yes
-------------------------------------------------------------------------

The run ends with the message:

-------------------------------------------------------------------------
configure: error: No math library found
-------------------------------------------------------------------------

Since it says "ERROR parsing -r12000: unknown flag" i have edited the
configure script and replaced the -r12000 by -r10000. This works
relatively fine (quite afew warnings though) until the compilation reaches
the "protonate.c" subroutine where the error messages are 

------------------------------------------------------------------------
protonate.c", line 31: error(1007): unrecognized token
   */
     ^



"protonate.c", line 31: error(1166): expected a declaration
   */
     ^

"protonate.c", line 32: error(1007): unrecognized token
  static char *SRCID_protonate_c = "$Id: protonate.c,v 1.5.2.1 2002/04/01
20:20:42 lindahl Exp $"; 

^

"protonate.c", line 32: error(1166): expected a declaration
  static char *SRCID_protonate_c = "$Id: protonate.c,v 1.5.2.1 2002/04/01
20:20:42 lindahl Exp $"; 

^

"protonate.c", line 33: warning(1014): extra text after expected end of
          preprocessing directive
  #include <math.h>
--------------------------------------------------------------------------

and so on... 

I have seen that there have been problems with the -n32 flag for SGI's,
but this does not seem to be related to that, or? Is it wrong or does it
make the code substantially slower when using the -r10000 flag? Any ideas
how to solve the problem?

I have seen that there is a hack for sgi's in the configure script
suggesting --disable-waterwater-loops and --disable-waterloop-unrolling. I
dont really understand what that means, but it doesn't make a difference
if i include them upun installing.

(I believe that the FFTW is properly installed in single precision.)
 
Thanks in advance

   Arvid Soederhaell

Arvid Soederhaell, PhD                          Phone:+49-30-94793-231 
Forschungsinstitut fuerMolekulare Pharmakologie Mob:+49-160-9835 8282
Robert-Roessle-Strasse 10                       Fax::+49-30-94793-169   
131 25 Berlin                                   (Mob:+46-70-723 33 63)