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 "[email protected]" | #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 "r...@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 <[email protected]> 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 <[email protected]>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 "[email protected]" >> | #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 "r...@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 >> >> -- >> gmx-users mailing list [email protected] >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to [email protected]. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > > > -- > ORNL/UT Center for Molecular Biophysics cmb.ornl.gov > 865-241-1537, ORNL PO BOX 2008 MS6309 > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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