<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial"><P> Hi, Mark:</P>
<P>Thanks for your reply.<BR>my configure line is just simple :</P>
<P>./configure --prefix=/home/njn/zms/1gmx4.5.5 --enable-mpi</P>
<P>this would cause the following error:<BR>---------------------------------------------------------------------------------------------------</P>
<P>......<BR>checking size of off_t... configure: error: in `/home/njn/Desktop/gromacs-4.5.5':<BR>configure: error: cannot compute sizeof (off_t)<BR>See `config.log' for more details.</P>
<P>--------------------------------------------------------------------------------------------------</P>
<P>In the config.log, I found:</P>
<P>---------------------------------------------------------------------------------------------------------------------------------------------</P>
<P>configure:4386: $? = 0<BR>configure:4375: cc -v >&5<BR>Using built-in specs.<BR>Target: x86_64-redhat-linux<BR>Configured with: ../configure --prefix=/usr --mandir=/usr/share/man --infodir=/usr/share/info --with-bugurl=http://bugzilla.redhat.com/bugzilla --enable-bootstrap --enable-shared --enable-threads=posix --enable-checking=release --with-system-zlib --enable-__cxa_atexit --disable-libunwind-exceptions --enable-gnu-unique-object --enable-languages=c,c++,objc,obj-c++,java,fortran,ada --enable-java-awt=gtk --disable-dssi --with-java-home=/usr/lib/jvm/java-1.5.0-gcj-1.5.0.0/jre --enable-libgcj-multifile --enable-java-maintainer-mode --with-ecj-jar=/usr/share/java/eclipse-ecj.jar --disable-libjava-multilib --with-ppl --with-cloog --with-tune=generic --with-arch_32=i686 --build=x86_64-redhat-linux<BR>Thread model: posix<BR>gcc version 4.4.5 20110214 (Red Hat 4.4.5-6) (GCC) <BR>configure:4386: $? = 0<BR>configure:4375: cc -V >&5<BR>cc: '-V' option must have ar
gument<BR>configure:4386: $? = 1<BR>configure:4375: cc -qversion >&5<BR>cc: unrecognized option '-qversion'<BR>cc: no input files<BR>configure:4386: $? = 1<BR>configure:4408: checking for C compiler default output file name<BR>configure:4430: cc conftest.c >&5<BR>configure:4434: $? = 0<BR>configure:4471: result: a.out<BR>configure:4487: checking whether the C compiler works<BR>configure:4496: ./a.out<BR>configure:4500: $? = 0<BR>configure:4515: result: yes<BR>configure:4522: checking whether we are cross compiling<BR>configure:4524: result: no<BR>configure:4527: checking for suffix of executables<BR>configure:4534: cc -o conftest conftest.c >&5<BR>configure:4538: $? = 0<BR>configure:4560: result: <BR>configure:4566: checking for suffix of object files<BR>configure:4588: cc -c conftest.c >&5<BR>configure:4592: $? = 0<BR>configure:4613: result: o<BR>configure:4617: checking whether we are u
sing the GNU C compiler<BR>configure:4636: cc -c conftest.c >&5<BR>configure:4636: $? = 0<BR>configure:4645: result: yes<BR>configure:4654: checking whether cc accepts -g<BR>configure:4674: cc -c -g conftest.c >&5<BR>configure:4674: $? = 0<BR>configure:4715: result: yes<BR>configure:4732: checking for cc option to accept ISO C89<BR>configure:4796: cc -c -g -O2 conftest.c >&5<BR>configure:4796: $? = 0<BR>configure:4809: result: none needed<BR>configure:4840: checking for style of include used by make<BR>configure:4868: result: GNU<BR>configure:4893: checking dependency style of cc<BR>configure:5003: result: gcc3<BR>configure:5262: checking dependency style of cc<BR>configure:5370: result: gcc3<BR>configure:5396: checking for mpxlc<BR>configure:5426: result: no<BR>configure:5396: checking for mpicc<BR>configure:5412: found /usr/lib64/openmpi/bin/mpicc<BR>configure:5423: result: mpicc<BR>configure:5438: checking whether the MPI
cc command works<BR>configure:5452: mpicc -o conftest -g -O2 conftest.c >&5<BR>configure:5452: $? = 0<BR>configure:5453: result: yes<BR>configure:5470: checking for MPI_IN_PLACE in collective operations<BR>configure:5490: mpicc -c -g -O2 conftest.c >&5<BR>configure:5490: $? = 0<BR>configure:5492: result: yes<BR>configure:5511: checking for catamount<BR>configure:5529: mpicc -c -g -O2 conftest.c >&5<BR>conftest.c:23:2: error: #error not catamount<BR>configure:5529: $? = 1</P>
<P>configure: failed program was:<BR>| /* confdefs.h */<BR>| #define PACKAGE_NAME "gromacs"<BR>| #define PACKAGE_TARNAME "gromacs"<BR>| #define PACKAGE_VERSION "4.5.5"<BR>| #define PACKAGE_STRING "gromacs 4.5.5"<BR>| #define PACKAGE_BUGREPORT "<A href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A>"<BR>| #define PACKAGE_URL ""<BR>| #define PACKAGE "gromacs"<BR>| #define VERSION "4.5.5"<BR>| #define GMX_SOFTWARE_INVSQRT /**/<BR>| #define GMX_QMMM_GAUSSIAN /**/<BR>| #define GMX_QMMM_ORCA /**/<BR>| #define BUILD_TIME "Thu Sep 22 23:33:40 CST 2011"<BR>| #define BUILD_USER "<A href="mailto:njn@njn-SL">njn@njn-SL</A>"<BR>| #define BUILD_MACHINE "Linux 2.6.32-131.0.15.el6.x86_64 x86_64"<BR>| #define GMX_MPI /**/<BR>| #define GMX_LIB_MPI /**/<BR>| #define MPI_IN_PLACE_EXISTS /**/<BR>| /* end confdefs.h. */<BR>| <BR>| #if defined __QK_USER__<BR>| #else<BR>| #error not catamount<BR>| #endif<BR>| <BR>| int<BR>| main ()<BR>| {<BR>| <BR>| ;<BR>| retu
rn 0;<BR>| }<BR>configure:5551: result: no<BR>configure:6229: checking how to run the C preprocessor<BR>configure:6260: mpicc -E conftest.c<BR>configure:6260: $? = 0<BR>configure:6274: mpicc -E conftest.c<BR>conftest.c:22:28: error: ac_nonexistent.h: No such file or directory<BR>configure:6274: $? = 1<BR>configure: failed program was:<BR>| /* confdefs.h */<BR>.......<BR>--------------------------------------------------------------------------------------------------------------------------------------------<BR>my system is scientific linux, kernel linux 2.6.32-131.0.15.el16.x86_64<BR>my gcc is 4.4.5<BR>my cpu is intel-i7-940 4 cores</P>
<P>?????????????????????????????????????????????????</P>
<P> </P>
<P>> More useful would be the information that you've been following the <BR>> online installation guide, and what your configure line was. As it is, <BR>> it looks like you have some problem with the compiler. Can you compile <BR>> other code?<BR>><BR>> Mark</P>
<P><BR>--<BR>Sincerely yours <BR>Dr Ji-Nan Niu <BR>School of Materials Science and Engineering.<BR>China University of Mining and Technology.<BR>Jiangsu Province, XuZhou 221116<BR>P. R. China</P>
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