[gmx-users] TEE-REX installation error

[TJ Piggot]

Hi,

I am trying to install the TEE-REX patch for gromacs 3.3.1 and am getting 
the following make error:

 cc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include 
-DGMXLIBDIR=\"/home/tp1821/Gromacs/teerex/share/top\" -O3 
-fomit-frame-pointer -finline-functions -Wall -Wno-unused 
-funroll-all-loops -MT gmx_parallel_3dfft.lo -MD -MP -MF 
.deps/gmx_parallel_3dfft.Tpo -c gmx_parallel_3dfft.c -o gmx_parallel_3dfft.o
if /bin/sh ../../libtool --mode=compile cc -DHAVE_CONFIG_H -I. -I. 
-I../../src  -I../../include 
-DGMXLIBDIR=\"/home/tp1821/Gromacs/teerex/share/top\"   -O3 
-fomit-frame-pointer -finline-functions -Wall -Wno-unused 
-funroll-all-loops -MT qm_gaussian.lo -MD -MP -MF ".deps/qm_gaussian.Tpo" 
-c -o qm_gaussian.lo qm_gaussian.c; \
then mv -f ".deps/qm_gaussian.Tpo" ".deps/qm_gaussian.Plo"; else rm -f 
".deps/qm_gaussian.Tpo"; exit 1; fi
if /bin/sh ../../libtool --mode=compile cc -DHAVE_CONFIG_H -I. -I. 
-I../../src  -I../../include 
-DGMXLIBDIR=\"/home/tp1821/Gromacs/teerex/share/top\"   -O3 
-fomit-frame-pointer -finline-functions -Wall -Wno-unused 
-funroll-all-loops -MT gmx_fft_fftw3.lo -MD -MP -MF 
".deps/gmx_fft_fftw3.Tpo" -c -o gmx_fft_fftw3.lo gmx_fft_fftw3.c; \
then mv -f ".deps/gmx_fft_fftw3.Tpo" ".deps/gmx_fft_fftw3.Plo"; else rm -f 
".deps/gmx_fft_fftw3.Tpo"; exit 1; fi
 cc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include 
-DGMXLIBDIR=\"/home/tp1821/Gromacs/teerex/share/top\" -O3 
-fomit-frame-pointer -finline-functions -Wall -Wno-unused 
-funroll-all-loops -MT teerex.lo -MD -MP -MF .deps/teerex.Tpo -c teerex.c 
-o teerex.o
teerex.c: In function `init_TEEREX':
teerex.c:167: warning: implicit declaration of function `MPI_Gather'
teerex.c:167: error: `MPI_FLOAT' undeclared (first use in this function)
teerex.c:167: error: (Each undeclared identifier is reported only once
teerex.c:167: error: for each function it appears in.)
teerex.c:167: error: `MPI_COMM_WORLD' undeclared (first use in this 
function)
teerex.c:244: warning: implicit declaration of function `MPI_Barrier'
make[3]: *** [teerex.lo] Error 1
make[3]: *** Waiting for unfinished jobs....
 cc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include 
-DGMXLIBDIR=\"/home/tp1821/Gromacs/teerex/share/top\" -O3 
-fomit-frame-pointer -finline-functions -Wall -Wno-unused 
-funroll-all-loops -MT qm_gaussian.lo -MD -MP -MF .deps/qm_gaussian.Tpo -c 
qm_gaussian.c -o qm_gaussian.o
 cc -DHAVE_CONFIG_H -I. -I. -I../../src -I../../include 
-DGMXLIBDIR=\"/home/tp1821/Gromacs/teerex/share/top\" -O3 
-fomit-frame-pointer -finline-functions -Wall -Wno-unused 
-funroll-all-loops -MT gmx_fft_fftw3.lo -MD -MP -MF .deps/gmx_fft_fftw3.Tpo 
-c gmx_fft_fftw3.c -o gmx_fft_fftw3.o
make[3]: Leaving directory 
`/home/tp1821/Gromacs/gromacs-3.3.1-teerex/src/mdlib'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/tp1821/Gromacs/gromacs-3.3.1-teerex/src'
make[1]: *** [all] Error 2
make[1]: Leaving directory `/home/tp1821/Gromacs/gromacs-3.3.1-teerex/src'
make: *** [all-recursive] Error 1


I am using the gcc 3.4.6 compiler on a CentOS 4 linux box and also gromacs 
3.3.1 without the TEE-REX patch installs fine.

Thanks for any advice you can give me to fix this problem.

Tom Piggot

----------------------
TJ Piggot
t.piggot at bristol.ac.uk
University of Bristol, UK.