GROMACS version:gromacs -2022.2
GROMACS modification:No
Here post your question
Dear friends,
First of all, I am a very new user. I am trying the last version of gromacs on “high performance computing grids” but I have encountered such an error and have not overcome it any way:
begining**
bash-4.2$ make
[ 0%] Built target fftwBuild
[ 1%] Built target muparser
[ 1%] Generating release version information
[ 1%] Built target release-version-info
[ 3%] Built target thread_mpi
[ 4%] Built target tng_io_obj
[ 6%] Built target tng_io_zlib
[ 6%] Built target lmfit_objlib
[ 6%] Built target linearalgebra
[ 9%] Built target modularsimulator
[ 9%] Built target scanner
[ 9%] Linking CXX shared library …/…/lib/libgromacs_mpi.so
/usr/bin/ld: /truba/sw/centos7.9/app/cp2k/9.1/cp2k-9.1/tools/toolchain/install/mpich-3.3.2/lib/libmpi.a(lib_libmpi_la-allreduce.o): relocation R_X86_64_32 against `.rodata.str1.1’ can not be used when making a shared object; recompile with -fPIC
/truba/sw/centos7.9/app/cp2k/9.1/cp2k-9.1/tools/toolchain/install/mpich-3.3.2/lib/libmpi.a: error adding symbols: Bad value
collect2: error: ld returned 1 exit status
make[2]: *** [lib/libgromacs_mpi.so.7.0.0] Error 1
make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
make: *** [all] Error 2
end**********
I will be happy if you explain the solution?
Yours sincerely,
sedsil