[gmx-users] Problems running in paralell on IBM SP

[Erik Lindahl]

David L. Bostick wrote:

>Hi Erik,
>
>If I don't give CFLAGS or FFLAGS when I run configure, I get for the system
>detected,
>.
>.
>./configure --enable-mpi --prefix=/gpfs/dbostick/gmx-3.1
>--disable-largefile --program-suffix="_mpi"
>checking build system type... powerpc-ibm-aix4.3.3.0
>checking host system type... powerpc-ibm-aix4.3.3.0
>checking for a BSD compatible install... config/install-sh -c
>checking whether build environment is sane... yes
>.
>.
>and for the flags 
>.
>.
>checking how to run the C preprocessor... mpcc -E
>checking whether mpcc accepts -O3 -qmaxmem=16384... ./configure[5048]: ==:
>unknown test operator
>no
>

OK. That's because the identification has changed from rs6000 to 
powerpc. I really don't know why since Power3 is a power parallel 
processor and not powerpc, but I've changed the configuration scripts to 
accept either and still find the best flags.

If you want to test it, you can find an updated package at 
ftp://ftp.gromacs.org/pub/patches, but I don't think it will solve the 
other problems since it compiles ok when you provide CFLAGS/FFLAGS.

Cheers,

Erik