[gmx-users] Install gromacs4.6.3 with mpi

Qin Qiao qiaoqin47 at gmail.com
Sat Sep 7 10:55:20 CEST 2013

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/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

I was using command
"cmake ..  -DCMAKE_INSTALL_PREFIX=/.../gromacs-4.6.3/
and I thought the mvapich is compiled with --enable-shared...

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


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