c - gromacs compilation gives undefined reference error -
i use gromacs on open suse 12.3 platform having trouble it. when trying compile analyzing tool using gmx_template first got error:
g++ -l/usr/local/gromacs/lib -o msd msd.o -lmd -lgmx -lfftw3f -lxml2 -lnsl -lm /usr/lib64/gcc/x86_64-suse-linux/4.7/../../../../x86_64-suse-linux/bin/ld: /usr/local /gromacs/lib/libgmx.a(pthreads.c.o): undefined reference symbol 'pthread_getaffinity_np@@glibc_2.3.4' /usr/lib64/gcc/x86_64-suse-linux/4.7/../../../../x86_64-suse-linux/bin/ld: note: 'pthread_getaffinity_np@@glibc_2.3.4' defined in dso /lib64/libpthread.so.0 try adding linker command line /lib64/libpthread.so.0: not read symbols: invalid operation collect2: error: ld returned 1 exit status make: *** [msd] fehler 1
then added /lib64/libpthread.so.0 -l options in makefile
but lot of errors this:
/usr/local/gromacs/lib/libgmx.a(pbc.c.o): in function `put_atoms_in_box_omp._omp_fn.0': pbc.c:(.text+0x862f): undefined reference `omp_get_num_threads'
i think related openmp. not understand enough of building process enable openmp support (probably -fopenmp) , @ same time surprised in case have change cmake files in order make gromacs work. used quick , dirty install following gromacs installation instructions on website.
any suggestions can / did wrong far ? using gcc 4.7
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