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