Hi,
I am trying to install gromacs 3.3.3 with plumed 1.1.0 with the following
commands:
$ export plumedir=/home/osmair/programs/PLUMED-1.1.0
$ CC=gcc CXX=g++ ./configure --enable-double --program-suffix=_plumed
--enable-fortran --enable-mpi
CPPFLAGS=-I/home/osmair/programs/fftw-3.0.1/include
LDFLAGS=-L/home/osmair/programs/fftw-3.0.1/lib
LD_LIBRARY_PATH=/home/osmair/programs/openmpi-1.2.7/lib
$ ./plumedpatch_gromacs_3.3.3.sh -patch
$make
However I found the error:
/usr/lib/gcc/x86_64-redhat-linux/3.4.6/libfrtbegin.a(frtbegin.o): In function
`main':
(.text+0x1e): undefined reference to `MAIN__'
collect2: ld returned 1 exit status
make[3]: *** [ffscan] Error 1
make[3]: Leaving directory `/home/osmair/programs/gromacs-333PLUMED/src/kernel'
make[2]: *** [all-recursive] Error 1
...
On the other hand, when I try install the gromacs without plumed, the
following commands work very well.
$ CC=gcc CXX=g++ ./configure --enable-double --program-suffix=_plumed
--enable-fortran --enable-mpi
CPPFLAGS=-I/home/osmair/programs/fftw-3.0.1/include
LDFLAGS=-L/home/osmair/programs/fftw-3.0.1/lib
LD_LIBRARY_PATH=/home/osmair/programs/openmpi-1.2.7/lib
$ make
Someone can help me?
Thanks
Ph.D. Osmair Vital de Oliveira
Federal University of Sao Carlos - Brazil
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