[gmx-users] Error in Installing gromacs4.6.3 with mpi

[Qin Qiao]

Dear all,

I'm trying to install gromacs4.6.3 with mvapich2-1.9a on a local cluster
and got the following error in step 'make':

"/usr/bin/ld:
/usr/local/mvapich2-1.9a-gcc/lib/libmpich.a(mvapich_malloc.o): relocation
R_X86_64_32 against `.bss' can not be used when making a shared object;
recompile with -fPIC
/usr/local/mvapich2-1.9a-gcc/lib/libmpich.a: could not read symbols: Bad
value
"

I was using command
"cmake ../  -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX=/.../gromacs-4.6.3/
-DGMX_BUILD_OWN_FFTW=ON -BUILD_SHARED_LIBS='no'
"
and I thought the mvapich is compiled with --enable-shared...

Could you give me some advice if possible? Thanks in advance.

Best

Qin