Hello gmx-users !! I am trying to install gromacs 4.0.7 double precision with mpi. I downloaded openmpi-1.4. and installed it. Then executed ./configure --enable-mpi --program-suffix=_mpi_d --prefix=/usr/local/gromacs407_double_mpi --enable-double
It showed checking for mpicc... mpicc checking whether the MPI cc command works... yes checking for catamount... no checking how to run the C preprocessor... mpicc -E checking whether mpicc accepts -O3... yes checking whether mpicc accepts -funroll-all-loops... yes checking whether mpicc accepts -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops... yes checking for grep that handles long lines and -e... /usr/bin/grep checking for egrep... /usr/bin/grep -E checking for ANSI C header files... no checking for sys/types.h... yes checking for sys/stat.h... yes checking for stdlib.h... yes checking for string.h... yes checking for memory.h... yes checking for strings.h... yes checking for inttypes.h... yes checking for stdint.h... yes checking for unistd.h... yes checking whether byte ordering is bigendian... no checking for int... yes checking size of int... configure: error: cannot compute sizeof (int) See `config.log' for more details. The part of the config.log reads as: --configure:4577: checking whether the MPI cc command works configure:4601: mpicc -o conftest -g -O2 conftest.c >&5 configure:4607: $? = 0 configure:4613: result: yes configure:4636: checking for catamount configure:4664: mpicc -c -g -O2 conftest.c >&5 conftest.c:20:2: error: #error not catamount configure:4670: $? = 1 configure: failed program was: | /* confdefs.h. */ | #define PACKAGE_NAME "gromacs" | #define PACKAGE_TARNAME "gromacs" | #define PACKAGE_VERSION "4.0.7" | #define PACKAGE_STRING "gromacs 4.0.7" | #define PACKAGE_BUGREPORT "[email protected]" | #define PACKAGE "gromacs" | #define VERSION "4.0.7" | #define GMX_DOUBLE | #define GMX_SOFTWARE_SQRT | #define GMX_QMMM_GAUSSIAN | #define BUILD_TIME "Sun Jan 17 01:26:27 EST 2010" | #define BUILD_USER "r...@corsica" | #define BUILD_MACHINE "Linux 2.6.31.5-0.1-desktop i686" | #define GMX_MPI | /* end confdefs.h. */ | | #if defined __QK_USER__ | #else | #error not catamount | #endif | | int | main () | { | | ; | return 0; | } configure:4706: result: no configure:5590: checking how to run the C preprocessor configure:5630: mpicc -E conftest.c configure:5636: $? = 0 configure:5667: mpicc -E conftest.c conftest.c:19:28: error: ac_nonexistent.h: No such file or directory | | int | main () | { | | ; | return 0; | } configure:4706: result: no configure:5590: checking how to run the C preprocessor configure:5630: mpicc -E conftest.c configure:5636: $? = 0 configure:5667: mpicc -E conftest.c conftest.c:19:28: error: ac_nonexistent.h: No such file or directory configure:5673: $? = 1 configure: failed program was: | /* confdefs.h. */ | #define PACKAGE_NAME "gromacs" | #define PACKAGE_TARNAME "gromacs" | #define PACKAGE_VERSION "4.0.7" | #define PACKAGE_STRING "gromacs 4.0.7" | #define PACKAGE_BUGREPORT "[email protected]" | #define PACKAGE "gromacs" | #define VERSION "4.0.7" | #define GMX_DOUBLE | #define GMX_SOFTWARE_SQRT | #define GMX_QMMM_GAUSSIAN | #define BUILD_TIME "Sun Jan 17 01:26:27 EST 2010" | #define BUILD_USER "r...@corsica" | #define BUILD_MACHINE "Linux 2.6.31.5-0.1-desktop i686" | #define GMX_MPI | #define F77_OR_C_FUNC(name,NAME) name | #define F77_OR_C_FUNC_(name,NAME) name | /* end confdefs.h. */ | #include <ac_nonexistent.h> configure:5706: result: mpicc -E configure:5735: mpicc -E conftest.c configure:5741: $? = 0 configure:5772: mpicc -E conftest.c conftest.c:19:28: error: ac_nonexistent.h: No such file or directory .............................................................................................. .............................................................................................. configure:6203: checking whether mpicc accepts -O3 configure:6221: result: yes configure:6501: checking whether mpicc accepts -funroll-all-loops configure:6519: result: yes configure:6558: checking whether mpicc accepts -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops configure:6576: result: yes configure:6668: checking for grep that handles long lines and -e configure:6742: result: /usr/bin/grep configure:6747: checking for egrep configure:6825: result: /usr/bin/grep -E configure:6830: checking for ANSI C header files configure:6868: mpicc -c -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops conftest.c >&5 configure:6874: $? = 0 configure:6973: mpicc -o conftest -O3 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops conftest.c >&5 configure:6976: $? = 0 configure:6982: ./conftest ./conftest: error while loading shared libraries: libmpi.so.0: cannot open shared object file: No such file or directory configure:6985: $? = 127 configure: program exited with status 127 I also searched the gmx-users list, but cant understand it. Google also didnt help me. Looking forward from you all. Chandan -- Chandan kumar Choudhury NCL, Pune INDIA
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