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
[EMAIL PROTECTED]
University of Bristol, UK.
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