Hello all, I have built MVAPICH2-1.4rc1 with Infiniband support on a CentOS 5.3 box and am trying to build gromacs-4.0.5 with MPI support.
make is failing with the following error message: mpicc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops -std=gnu99 -o grompp grompp.o ./.libs/libgmxpreprocess_mpi.a -L/usr/lib64 ../mdlib/.libs/libmd_mpi.a /<...snip..>/gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.a ../gmxlib/.libs/libgmx_mpi.a -lxml2 -lnsl -lfftw3f -lm -lX11 /usr/local/lib/libmpich.a(ibv_channel_manager.o):(.bss+0x10): multiple definition of `debug' <..snip..>/gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.a(gmx_fatal.o):(.bss+0x0): first defined here collect2: ld returned 1 exit status make[3]: *** [grompp] Error 1 It looks like 'debug' is conflicting in both MVAPICH2 and in Gromacs. Any suggestions? Thanks, Jerry. Research Systems Administrator SBGrid
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