[gmx-users] Need help with installation on Itanium2

[Mark Abraham]

Vasilii Artyukhov wrote:
> Thanks for quick reply,
> 
> 2008/4/28 Mark Abraham <Mark.Abraham at anu.edu.au 
> <mailto:Mark.Abraham at anu.edu.au>>:
> 
>     Vasilii Artyukhov wrote:
> 
>         Dear everyone,
> 
>         I'm trying to install GROMACS on an Itanium2 cluster using MPI
>         icc. At a certain point, the compilation crashes with
> 
> 
>     What hardware, compilers, GROMACS version and configure command line
>     were you using?
> 
> 
> GROMACS 3.3.3, Itanium2, Intel cc version 9.0, MPICH-GM comm lib. As for 
> configure, nothing interesting, just --disable-nice --enable-mpi CC=icc 
> & the libs; the serial version (same without --enable-mpi) installs 
> successfully, so I kind of hope it's only a problem of assembly loops & 
> Intel's cc.

I get the same issue with GROMACS 3.3.2 and 3.3.3 on my Itanium2 system 
using Intel 10.1 icc, and I also get them even without --enable-mpi, e.g.

../configure --program-suffix=_3.3.3_single --with-fft=fftw2 
--with-external-blas --with-external-lapack 
LIBS="-L/opt/fftw-2.1.5/intel-9.1/lib -lscs"

then make gives

/bin/sh ../../../../libtool   --mode=compile icc -DHAVE_CONFIG_H -I. 
-I../../../../src 
-I../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_single 
-I../../../../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" 
-O3 -w -funroll-all-loops -MT nb_kernel010_ia64_single.lo -MD -MP -MF 
.deps/nb_kernel010_ia64_single.Tpo -c -o nb_kernel010_ia64_single.lo 
../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_single/nb_kernel010_ia64_single.S
  icc -DHAVE_CONFIG_H -I. -I../../../../src 
-I../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_single 
-I../../../../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" 
-O3 -w -funroll-all-loops -MT nb_kernel010_ia64_single.lo -MD -MP -MF 
.deps/nb_kernel010_ia64_single.Tpo -c 
../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_single/nb_kernel010_ia64_single.S 
-o nb_kernel010_ia64_single.o
/tmp/iccEJOKXd.s(1) : error A2040: Unexpected token: Unary Diez Operator 
at: Start
...etc

Running the above icc by hand with -O0 also fails in the same way.

Mark