[gmx-users] Compiling problem on IBM JS20 BladeCenter with Linux Suse 9 and Myrinet

[Pietro Lopriore]

Problem:
while compiling GROMACS in single-precision (suggested for performance
reasons) - the double precision compilation was OK - we get the following
error:

COMMAND:
./configure LDFLAGS="-L/usr/local/mpich-gm/lib/"
CFLAGS="-I/usr/local/mpich-gm/include/" --enable-float --enable-type-prefix
--enable-mpi

MAKE
node001:/data1/gromacs-3.2.1 # make
Making all in src
make[1]: Entering directory `/data1/gromacs-3.2.1/src'
make  all-recursive
make[2]: Entering directory `/data1/gromacs-3.2.1/src'
Making all in gmxlib
make[3]: Entering directory `/data1/gromacs-3.2.1/src/gmxlib'
if /bin/sh ../../libtool --mode=compile mpicc -DHAVE_CONFIG_H -I. -I.
-I../../src  -I../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\"
-O6 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-finline-limit=1000 -funroll-all-loops -mcpu=7450 -mtune=970  -MT fnbf.lo
-MD -MP -MF ".deps/fnbf.Tpo" \
  -c -o fnbf.lo `test -f 'fnbf.c' || echo './'`fnbf.c; \
then mv -f ".deps/fnbf.Tpo" ".deps/fnbf.Plo"; \
else rm -f ".deps/fnbf.Tpo"; exit 1; \
fi
mpicc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include
-DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O6 -fomit-frame-pointer
-finline-functions -Wall -Wno-unused -finline-limit=1000 -funroll-all-loops
-mcpu=7450 -mtune=970 -MT fnbf.lo -MD -MP -MF .deps/fnbf.Tpo -c fnbf.c -o
fnbf.o
In file included from ../../include/detectcpu.h:90,
                 from fnbf.c:63:
../../include/ppc_altivec.h:45: error: parse error before "float"
../../include/ppc_altivec.h: In function `printvec':
../../include/ppc_altivec.h:48: error: parse error before "vector"
../../include/ppc_altivec.h:48: warning: no semicolon at end of struct or
union
../../include/ppc_altivec.h: At top level:
../../include/ppc_altivec.h:48: warning: type defaults to `int' in
declaration of `conv'
../../include/ppc_altivec.h:48: warning: data definition has no type or
storage class
../../include/ppc_altivec.h:50: error: parse error before '.' token
../../include/ppc_altivec.h:52: error: parse error before string constant


...etc...
---------------------------------------------------------------------------------------------------------------------------------------------------------
We then modified the ppc_altivec.h file adding the "#include <altivec.h>"
and launching again the "make" the compilation stopped a little bit later
with the following stack:

MAKE AFTER THE "INCLUDE <ALTIVEC.H>
node001:/data1/gromacs-3.2.1 # make
Making all in src
make[1]: Entering directory `/data1/gromacs-3.2.1/src'
make  all-recursive
make[2]: Entering directory `/data1/gromacs-3.2.1/src'
Making all in gmxlib
make[3]: Entering directory `/data1/gromacs-3.2.1/src/gmxlib'
if /bin/sh ../../libtool --mode=compile mpicc -DHAVE_CONFIG_H -I. -I.
-I../../src  -I../../include -DGMXLIBDIR=\"/usr/local/gromacs/share/top\"
-O6 -fomit-frame-pointer -finline-functions -Wall -Wno-unused
-finline-limit=1000 -funroll-all-loops -mcpu=7450 -mtune=970  -MT fnbf.lo
-MD -MP -MF ".deps/fnbf.Tpo" \
  -c -o fnbf.lo `test -f 'fnbf.c' || echo './'`fnbf.c; \
then mv -f ".deps/fnbf.Tpo" ".deps/fnbf.Plo"; \
else rm -f ".deps/fnbf.Tpo"; exit 1; \
fi
mpicc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include
-DGMXLIBDIR=\"/usr/local/gromacs/share/top\" -O6 -fomit-frame-pointer
-finline-functions -Wall -Wno-unused -finline-limit=1000 -funroll-all-loops
-mcpu=7450 -mtune=970 -MT fnbf.lo -MD -MP -MF .deps/fnbf.Tpo -c fnbf.c -o
fnbf.o
fnbf.c:183: error: conflicting types for `do_fnbf'
../../include/force.h:145: error: previous declaration of `do_fnbf'
fnbf.c: In function `do_fnbf':
fnbf.c:232: error: can't convert between vector values of different size
fnbf.c:238: error: can't convert between vector values of different size
fnbf.c: In function `do_14':
fnbf.c:996: error: invalid initializer
fnbf.c:1025: error: incompatible types in assignment
fnbf.c:1039: error: can't convert between vector values of different size
fnbf.c:1061: error: wrong type argument to unary exclamation mark
fnbf.c:1066: error: incompatible types in assignment
make[3]: *** [fnbf.lo] Error 1
make[3]: Leaving directory `/data1/gromacs-3.2.1/src/gmxlib'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/data1/gromacs-3.2.1/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/data1/gromacs-3.2.1/src'
make: *** [all-recursive] Error 1

Environment:
JS20 BladeCenter Power970 with Linux Suse 9 kernel 2.6.5-7.97-pseries64
Myrinet, GM 2.0.16-2,
MPICH-GM 1.2.6.14,
FFTW 2.1.5
gcc 3.3.3-43.24
gcc-64bit-9-200407011606

Any help will be greatly appreciated!!
_________________________________________________

Pietro Lopriore