[gmx-users] error: Cannot compile and link MPI code with mpicc

[Chandan Choudhury]

Hi Ronald !!
Thanks for your reply.
I recompiled the openmpi. But while executing ./configure --enable-mpi in
gromacs4.0.7 the following error is shown in config.log file.

configure:4536: checking for mpicc
configure:4552: found /usr/lib/mpi/gcc/openmpi/bin/mpicc
configure:4563: result: mpicc
configure:4577: checking whether the MPI cc command works
configure:4601: mpicc -o conftest -g -O2   conftest.c  >&5
conftest.c:15:17: error: mpi.h: No such file or directory
configure:4607: $? = 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_SOFTWARE_SQRT
| #define GMX_QMMM_GAUSSIAN
| #define BUILD_TIME "Mon Feb  1 14:07:34 EST 2010"
| #define BUILD_USER "root at corsica"
| #define BUILD_MACHINE "Linux 2.6.31.5-0.1-desktop i686"
| /* end confdefs.h.  */
| #include <mpi.h>
| int
| main ()
| {
| int argc; char **argv; MPI_Init(&argc,&argv);
|   ;
|   return 0;
| }
configure:4619: error: Cannot compile and link MPI code with mpicc


--
Chandan kumar Choudhury
NCL, Pune
INDIA


On Sat, Jan 30, 2010 at 10:57 PM, Roland Schulz <roland at utk.edu> wrote:

> Hi,
>
> your MPI installation has to be brogen. mpicc always has to be able to find
> libmpi. Please reinstall mpi correctly.
>
> Roland
>
> On Sat, Jan 30, 2010 at 11:06 AM, Chandan Choudhury <iitdckc at gmail.com>wrote:
>
>> Hi gmx users !!
>>
>> On compiling GMX paralley, following error was encountered. How can I
>> tackle this.
>> Kindly help.
>>
>>
>> checking for mpicc... mpicc
>> checking whether the MPI cc command works... configure: error: Cannot
>> compile and link MPI code with mpicc
>>
>> The config.log file reads
>>
>> configure:4536: checking for mpicc
>> configure:4552: found /usr/lib/mpi/gcc/openmpi/bin/mpicc
>> configure:4563: result: mpicc
>> configure:4577: checking whether the MPI cc command works
>> configure:4601: mpicc -o conftest -g -O2 -I/usr/local/openmpi/include/
>> conftest.c  >&5
>> /usr/lib/gcc/i586-suse-linux/4.4/../../../../i586-suse-linux/bin/ld:
>> cannot find -lmpi
>> collect2: ld returned 1 exit status
>> configure:4607: $? = 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_SOFTWARE_SQRT
>> | #define GMX_QMMM_GAUSSIAN
>> | #define BUILD_TIME "Sat Jan 30 21:42:50 IST 2010"
>> | #define BUILD_USER "root at shiraz"
>> | #define BUILD_MACHINE "Linux 2.6.31.5-0.1-desktop i686"
>> | /* end confdefs.h.  */
>> | #include <mpi.h>
>> | int
>> | main ()
>> | {
>> | int argc; char **argv; MPI_Init(&argc,&argv);
>> |   ;
>> |   return 0;
>> | }
>> configure:4619: error: Cannot compile and link MPI code with mpicc
>>
>>
>> Chandan
>>
>> --
>> Chandan kumar Choudhury
>> NCL, Pune
>> INDIA
>>
>> --
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>
>
>
> --
> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
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>
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