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

Francois-Romain Corradino F000682 at fr.ibm.com
Mon Nov 14 10:26:08 CET 2005

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 
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 

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],

finally I can only run it with the minimal compiler options 03 
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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