[gmx-users] FFTW & Gromacs installation woes on AIX 5.3

[Senthil Kumar M]

Hi List,

We currently have access to a IBM p595 located elsewhere from our lab.
I am trying to install Gromacs on it through ssh.

I could not install FFTW 3.1.2 but managed to install FFTW 2.1.5.
After installing fftw, I followed the installation guidelines
(CPPFLAGS etc) and tried to install Gromacs 3.3.3. I searched the
archives and tried to overcome the errors the ./configure kept
throwing at me one after the other (eg: checking for dummy main to
link with Fortran 77 libraries) by trying all the options (also in
various combinations if it made any sense to me to try them) that I
could manage to find given in the archives eg.:

./configure --prefix=$HOME/gromacs333 --enable-mpi
--program-suffix=_mpi --enable-float --with-fft=fftw2
--disable-fortran

The above step does not result in any errors. But I never seem to get
past the subsequent 'make' step. I tried with xlc, gcc, tried to
install Gromacs without mpi option, nothing could be accomplished so
far.

I am not an AIX expert, neither have I experience compiling software
from source files. I could not manage to contact the system admin, so
I am on my own to complete this installation.

In one of the old threads I read that Gromacs cannot be installed in
AIX versions more than 5.1. Is that true ?
http://www.gromacs.org/index.php?option=com_wrapper&Itemid=165

Any pointers or suggestions would be most welcome.  I am extremely
sorry for pointing the exact errors since for the past two days I have
tried several different solutions suggested in the archives I am not
sure which error to cut and paste. However, I have included the one
instance of error as given below:


./configure --prefix=$HOME/gro333 --disable-largefile --with-fft=fftw2
--disable-fortran

followed by

make gives:

xlc_r: 1501-224 fatal error in /usr/vac/exe/ipa64: signal 24 received
make: 1254-004 The error code from the last command is 251.


Stop.
make: 1254-004 The error code from the last command is 1.


Stop.
make: 1254-004 The error code from the last command is 2.


Stop.
make: 1254-004 The error code from the last command is 1.


Stop.



Thank You!

Senthil