[gmx-users] MPI ERROR while installing GMX4.0.7

[Chandan Choudhury]

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 "gmx-users at gromacs.org"
| #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 "root at 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 "gmx-users at gromacs.org"
| #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 "root at 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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