[gmx-users] errores during compilation of GROMACS 3.3.2

[Mark Abraham]

Erik Lindahl wrote:
> Hi,
> 
> Could you try without optimization flags? Go to 
> src/gmxlib/nonbonded/nb_kernel_ia64_double and type
> 
> make nb_kernel010_ia64_double.lo CFLAGS="-O0"

The libtool and icc commands produced by this still had -O3, and the 
output was the same set of errors, viz
/tmp/iccq96wB7.s(1) : error A2040: Unexpected token: Unary Diez Operator 
at: Start
/tmp/iccq96wB7.s(2) : error A2040: Unexpected token: Unary Diez Operator 
at: Start
/tmp/iccq96wB7.s(3) : error A2040: Unexpected token: Unary Diez Operator 
at: Start
/tmp/iccq96wB7.s(4) : error A2040: Unexpected token: Unary Diez Operator 
at: Start
/tmp/iccq96wB7.s(5) : error A2040: Unexpected token: Unary Diez Operator 
at: Start
/tmp/iccq96wB7.s(6) : error A2040: Unexpected token: Unary Diez Operator 
at: Start
/tmp/iccq96wB7.s(7) : error A2040: Unexpected token: Unary Diez Operator 
at: Start
/tmp/iccq96wB7.s(8) : error A2040: Unexpected token: Unary Diez Operator 
at: Start
/tmp/iccq96wB7.s(10) : error A2040: Unexpected token: Unary Diez 
Operator at: Start
/tmp/iccq96wB7.s(15) : error A2040: Unexpected token: Unary Diez 
Operator at: Start
/tmp/iccq96wB7.s(194) : error A2040: Unexpected token: Unary Diez 
Operator at: Start
/tmp/iccq96wB7.s(196) : error A2040: Unexpected token: Unary Diez 
Operator at: Start
/tmp/iccq96wB7.s(270) : error A2040: Unexpected token: Unary Diez 
Operator at: Start
/tmp/iccq96wB7.s(433) : error A2040: Unexpected token: Unary Diez 
Operator at: Start
/tmp/iccq96wB7.s(516) : error A2040: Unexpected token: Unary Diez 
Operator at: Start
.libs/nb_kernel010_ia64_double.o - 15 error(s), 0 warning(s)

Even when I ran the libtool command by hand with -O0 (so that the icc 
also ran with -O0) the same result occurred. Ditto icc by hand.

> It would also be useful to try running just (1) icc and (2) ias on the 
> corresponding .S file.

I could try ias on its own, but don't know how to construct the command 
line.

I guessed at

icc -DHAVE_CONFIG_H -I. -I../../../../src 
-I../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_double 
-I../../../../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\" 
-O0 -w -MT nb_kernel010_ia64_double.lo -MD -MP -MF 
.deps/nb_kernel010_ia64_double.Tpo -E 
../../../../../src/gmxlib/nonbonded/nb_kernel_ia64_double/nb_kernel010_ia64_double.S 
-fPIC -DPIC -o temp.s

which ran fine, then

ias temp.s -o temp.o

also compiled with no problems. FWIW, the -O3 version of the above two 
commands also worked.

Mark