[gmx-users] compiling error and no profiling on power 5 AIX V5.3

[Francois-Romain Corradino]

Hello all, 
I m francois Corradino working at IBM France . 
Recently I tried to compile gromacs on AIX V5.3 running on a Power5 but 
this task was more difficult than expected : 
First I get a lot of problems trying to compile the code  because of the 
library libc.a 

*** Warning: Linking the shared library libnonbonded.la against the
*** static library /usr/lpp/ppe.poe/lib/libc.a is not portable!
rm -fr .libs/libnonbonded.lax
mkdir .libs/libnonbonded.lax
rm -fr .libs/libnonbonded.lax/libnb_kernel.a
mkdir .libs/libnonbonded.lax/libnb_kernel.a
(cd .libs/libnonbonded.lax/libnb_kernel.a && ar x 
/works/work5/frcor/Gromacs/gromacs-3.3_rc2/src/gmxlib/nonbonded/nb_kernel/.libs/libnb_kernel.a)
ar: Permission denied
ar: 0707-113 The fopen system call failed on file libc.a.
gmake[5]: *** [libnonbonded.la] Error 1

This problem can be solved erasing the libc.a from the library 
libnb_kernel.a. 

Then I cannot profile the code with the options -g -pg or put some 
optimization flags like -qtune or -qarch. It compiles but when I try to 
run it I got an error in the file gmxfio.c concerning a variable nitem

static void _check_nitem(int eio,int nitem,char *file,int line)
{
  if ((nitem != 1) && !((eio == eioNRVEC) || (eio == eioNUCHAR)))
    gmx_fatal(FARGS,"nitem (%d) may differ from 1 only for %s or %s, not 
for %s"
              "(%s, %d)",nitem,eioNames[eioNUCHAR],eioNames[eioNRVEC],
              eioNames[eio],file,line);
}

finally I can only run it with the minimal compiler options 03 
-qmaxmem=16384. 
However there is no problem with opteron e326 (linux) and on the Xeon x336 
(linux), the code compile without any problem and run with no problem. 

Cordialement / Best regards

Francois Corradino, Deep Computing Europe / ATS - P.S.S.C -  Sce 1459 - 
Rue de la vieille Poste -  BP 1021 - 34006 Montpellier
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