Hello all,<br><br>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.<br><br>make is failing with the following error message:<br><br>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 <br><div id=":z4" class="ii gt">
<br>/usr/local/lib/libmpich.a(ibv_channel_manager.o):(.bss+0x10): multiple definition of `debug'<br><..snip..>/gromacs-4.0.5/src/gmxlib/.libs/libgmx_mpi.a(gmx_fatal.o):(.bss+0x0): first defined here<br>collect2: ld returned 1 exit status<br>
make[3]: *** [grompp] Error 1<br><br>It looks like 'debug' is conflicting in both MVAPICH2 and in Gromacs.<br><br>Any suggestions?<br><br>Thanks,<br><br>Jerry.<br>Research Systems Administrator<br>SBGrid</div>