[mvapich-discuss] Problem compiling gromacs-4.0.5 against
mvapich2-1.4rc1
Jerry Leahy
leahy at crystal.harvard.edu
Tue Jul 14 12:23:11 EDT 2009
Hello,
I have built MVAPICH2-1.4rc1 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
/opt/osg-shared/se/data/shared/install/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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