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<DIV>Hi all</DIV>
<DIV> </DIV>
<DIV>I post this question in users mailing list, but got no response yet.</DIV>
<DIV>So I post here again.</DIV>
<DIV> </DIV>
<DIV></DIV>
<DIV>I install gromacs-4.5.4, with</DIV>
<DIV></DIV>
<DIV>tar xzf gromacs-4.5.4.tar.gz</DIV>
<DIV>cd gromacs-4.5.4</DIV>
<DIV>export MPICC=/usr/mpi/gcc/mvapich2-1.4.1/bin/mpicc </DIV>
<DIV>./configure --prefix=/home/xuji/bin/gmx_4.5.4/parallel_float --enable-mpi --program-suffix=_mpi --without-x --with-fft=fftw3 --enable-all-static --without-xml --with-pic CPPFLAGS=-I/home/xuji/bin/fftw3_f/include/ LDFLAGS=-L/home/xuji/bin/fftw3_f/lib/ </DIV>
<DIV>make -j 8</DIV>
<DIV></DIV>
<DIV>but always got following errors:</DIV>
<DIV></DIV>
<DIV>Making all in kernel</DIV>
<DIV>make[3]: Entering directory `/home/xuji/src/gromacs-4.5.4/src/kernel'</DIV>
<DIV>/bin/sh ../../libtool --tag=CC --mode=link /usr/mpi/gcc/mvapich2-1.4.1/bin/mpicc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -msse2 -funroll-all-loops -std=gnu99 -L/home/xuji/bin/fftw3_f/lib/ -all-static -o grompp grompp.o libgmxpreprocess_mpi.la ../mdlib/libmd_mpi.la ../gmxlib/libgmx_mpi.la -lnsl -lm </DIV>
<DIV>/usr/mpi/gcc/mvapich2-1.4.1/bin/mpicc -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -msse2 -funroll-all-loops -std=gnu99 -static -o grompp grompp.o -L/home/xuji/bin/fftw3_f/lib/ ./.libs/libgmxpreprocess_mpi.a /home/xuji/src/gromacs-4.5.4/src/mdlib/.libs/libmd_mpi.a ../mdlib/.libs/libmd_mpi.a /home/xuji/bin/fftw3_f/lib/libfftw3f.a /home/xuji/src/gromacs-4.5.4/src/gmxlib/.libs/libgmx_mpi.a ../gmxlib/.libs/libgmx_mpi.a -lnsl -lm </DIV>
<DIV>/usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(simple_pmi.o): In function `PMI_Init':</DIV>
<DIV>(.text+0x1690): warning: Using 'gethostbyname' in statically linked applications requires at runtime the shared libraries from the glibc version used for linking</DIV>
<DIV>/usr/lib64/libc.a(malloc.o): In function `__malloc_check_init':</DIV>
<DIV>(.text+0x13d0): multiple definition of `__malloc_check_init'</DIV>
<DIV>/usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mvapich_malloc.o):(.text+0x8c0): first defined here</DIV>
<DIV>/usr/bin/ld: Warning: size of symbol `__malloc_check_init' changed from 113 in /usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mvapich_malloc.o) to 107 in /usr/lib64/libc.a(malloc.o)</DIV>
<DIV>/usr/lib64/libc.a(malloc.o): In function `free':</DIV>
<DIV>(.text+0x6da0): multiple definition of `free'</DIV>
<DIV>/usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mvapich_malloc.o):(.text+0x3260): first defined here</DIV>
<DIV>/usr/bin/ld: Warning: size of symbol `free' changed from 247 in /usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mvapich_malloc.o) to 375 in /usr/lib64/libc.a(malloc.o)</DIV>
<DIV>/usr/lib64/libc.a(malloc.o): In function `malloc':</DIV>
<DIV>(.text+0x55b0): multiple definition of `malloc'</DIV>
<DIV>/usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mvapich_malloc.o):(.text+0x3370): first defined here</DIV>
<DIV>/usr/bin/ld: Warning: size of symbol `malloc' changed from 364 in /usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mvapich_malloc.o) to 547 in /usr/lib64/libc.a(malloc.o)</DIV>
<DIV>/usr/lib64/libc.a(malloc.o): In function `realloc':</DIV>
<DIV>(.text+0x6f20): multiple definition of `realloc'</DIV>
<DIV>/usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mvapich_malloc.o):(.text+0x3740): first defined here</DIV>
<DIV>/usr/bin/ld: Warning: size of symbol `realloc' changed from 508 in /usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mvapich_malloc.o) to 1123 in /usr/lib64/libc.a(malloc.o)</DIV>
<DIV>/usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mem_hooks.o): In function `set_real_munmap_ptr':</DIV>
<DIV>(.text+0x1e): undefined reference to `dlsym'</DIV>
<DIV>/usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mem_hooks.o): In function `set_real_munmap_ptr':</DIV>
<DIV>(.text+0x26): undefined reference to `dlerror'</DIV>
<DIV>/usr/mpi/gcc/mvapich2-1.4.1/lib/libmpich.a(mem_hooks.o): In function `mvapich2_minit':</DIV>
<DIV>(.text+0x14c): undefined reference to `dlerror'</DIV>
<DIV>/usr/lib64/libibverbs.a(src_libibverbs_la-init.o): In function `load_driver':</DIV>
<DIV>(.text+0xc7): undefined reference to `dlopen'</DIV>
<DIV>/usr/lib64/libibverbs.a(src_libibverbs_la-init.o): In function `load_driver':</DIV>
<DIV>(.text+0x102): undefined reference to `dlerror'</DIV>
<DIV>/usr/lib64/libibverbs.a(src_libibverbs_la-init.o): In function `ibverbs_init':</DIV>
<DIV>(.text+0x11af): undefined reference to `dlopen'</DIV>
<DIV>/usr/lib64/libibverbs.a(src_libibverbs_la-init.o): In function `ibverbs_init':</DIV>
<DIV>(.text+0x11c0): undefined reference to `dlclose'</DIV>
<DIV>/usr/lib64/libibverbs.a(src_libibverbs_la-verbs.o): In function `ibv_create_comp_channel':</DIV>
<DIV>(.text+0xb76): undefined reference to `pthread_mutex_trylock'</DIV>
<DIV>collect2: ld returned 1 exit status</DIV>
<DIV>make[3]: *** [grompp] Error 1</DIV>
<DIV>make[3]: Leaving directory `/home/xuji/src/gromacs-4.5.4/src/kernel'</DIV>
<DIV>make[2]: *** [all-recursive] Error 1</DIV>
<DIV>make[2]: Leaving directory `/home/xuji/src/gromacs-4.5.4/src'</DIV>
<DIV>make[1]: *** [all] Error 2</DIV>
<DIV>make[1]: Leaving directory `/home/xuji/src/gromacs-4.5.4/src'</DIV>
<DIV>make: *** [all-recursive] Error 1</DIV>
<DIV> </DIV>
<DIV></DIV>
<DIV></DIV>
<DIV>Can someone show me what's wrong?</DIV>
<DIV>Appreciate any help in advance!</DIV>
<DIV></DIV>
<DIV></DIV>
<DIV> </DIV>
<DIV></FONT> </DIV></DIV>
<DIV align=left><FONT face=Verdana color=#c0c0c0 size=2>2011-06-09
</FONT></DIV><FONT face=Verdana size=2>
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<DIV><FONT face=Verdana color=#c0c0c0 size=2><SPAN>
<DIV>
<DIV><FONT face=Verdana size=2></FONT>
<DIV> </DIV>
<DIV>Best </DIV>
<DIV> wishes！</DIV>
<DIV> </DIV>
<DIV>Ji Xu</DIV>
<DIV></DIV>
<DIV>The State Key Laboratory of Multiphase Complex System</DIV>
<DIV>Institute of Process Engineering</DIV>
<DIV>Chinese Academy of Sciences</DIV>
<DIV>Beijing 100190, China</DIV>
<DIV>Tel.: +86 10 8262 3713-804 </DIV></DIV></DIV></SPAN></FONT></DIV></FONT></BODY></HTML>