[gmx-users] gromacs on itanium2

[Marius Retegan]

Hi,
First I've managed to compile 3.3.1 with Intel 9.1 and assembly loops
for ia64. Then I've tried 3.3.3 and 4.0.4. For both I've got a similar
error:
================================================================
/bin/sh ../../../../libtool   --mode=compile icc -DHAVE_CONFIG_H -I.
-I../../../../src -I/usr/X11R6/include -I../../../../include
-DGMXLIBDIR=\"/fougeron/home/mretegan/software/gromacs-4.0.4/share/top\"
-I/fougeron/home/mretegan/software/fftw3/include  -O2 -mtune=itanium2
-MT nb_kernel010_ia64_single.lo -MD -MP -MF
.deps/nb_kernel010_ia64_single.Tpo -c -o nb_kernel010_ia64_single.lo
nb_kernel010_ia64_single.S
 icc -DHAVE_CONFIG_H -I. -I../../../../src -I/usr/X11R6/include
-I../../../../include
-DGMXLIBDIR=\"/fougeron/home/mretegan/software/gromacs-4.0.4/share/top\"
-I/fougeron/home/mretegan/software/fftw3/include -O2 -mtune=itanium2
-MT nb_kernel010_ia64_single.lo -MD -MP -MF
.deps/nb_kernel010_ia64_single.Tpo -c nb_kernel010_ia64_single.S -o
nb_kernel010_ia64_single.o
/tmp/iccDePOHl.s(1) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(2) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(3) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(4) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(5) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(6) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(7) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(8) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(10) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(15) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(193) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(195) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(269) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(423) : error A2040: Unexpected token: Unary Diez
Operator at: Start
/tmp/iccDePOHl.s(506) : error A2040: Unexpected token: Unary Diez
Operator at: Start
nb_kernel010_ia64_single.o - 15 error(s), 0 warning(s)
================================================================

After I started looking on the archive and I've found the this thread
http://www.mail-archive.com/gmx-users@gromacs.org/msg16911.html. Then
I've installed the latest Intel compilers (11.0) and I've managed to
get it compiled. Unfortunately when I've tested the build, the complex
test failed without producing any output (not even test FAILED). I
tried to run them by hand, but strangely after I ran the mdrun command
they just kept on running. No error whatsoever.

The fftw were compiled with the same compiler as Gromacs. I've use O2
optimizations in CFLAGS.

Thanks,
Marius

On Tue, Mar 3, 2009 at 8:14 PM, David van der Spoel
<spoel at xray.bmc.uu.se> wrote:
> Marius Retegan wrote:
>>
>> Hello
>>
>> Since I was unable to get a working version for Gromacs 4.0.4 on a
>> Itanium 2 machine with the ia64 nonbonded kernel, I was wondering what
>> would be the lost in speed if I would disable the assembly loops?
>>
> About a factor of two. What's the problem with compiling?
>
>> Thanks,
>> Marius
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>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205. Fax: +4618511755.
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