Hi Ronald !!<br>Thanks for your reply.<br>I recompiled the openmpi. But while executing ./configure --enable-mpi in gromacs4.0.7 the following error is shown in config.log file.<br><br>configure:4536: checking for mpicc<br>
configure:4552: found /usr/lib/mpi/gcc/openmpi/bin/mpicc<br>configure:4563: result: mpicc<br>configure:4577: checking whether the MPI cc command works<br>configure:4601: mpicc -o conftest -g -O2 conftest.c >&5<br>
conftest.c:15:17: error: mpi.h: No such file or directory<br>configure:4607: $? = 1<br>configure: failed program was:<br>| /* confdefs.h. */<br>| #define PACKAGE_NAME "gromacs"<br>| #define PACKAGE_TARNAME "gromacs"<br>
| #define PACKAGE_VERSION "4.0.7"<br>| #define PACKAGE_STRING "gromacs 4.0.7"<br>| #define PACKAGE_BUGREPORT "<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>"<br>| #define PACKAGE "gromacs"<br>
| #define VERSION "4.0.7"<br>| #define GMX_SOFTWARE_SQRT<br>| #define GMX_QMMM_GAUSSIAN<br>| #define BUILD_TIME "Mon Feb 1 14:07:34 EST 2010"<br>| #define BUILD_USER "root@corsica"<br>| #define BUILD_MACHINE "Linux 2.6.31.5-0.1-desktop i686"<br>
| /* end confdefs.h. */<br>| #include <mpi.h><br>| int<br>| main ()<br>| {<br>| int argc; char **argv; MPI_Init(&argc,&argv);<br>| ;<br>| return 0;<br>| }<br>configure:4619: error: Cannot compile and link MPI code with mpicc<br>
<br clear="all"><br>--<br>Chandan kumar Choudhury<br>NCL, Pune<br>INDIA<br>
<br><br><div class="gmail_quote">On Sat, Jan 30, 2010 at 10:57 PM, Roland Schulz <span dir="ltr"><<a href="mailto:roland@utk.edu">roland@utk.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi,<div><br></div><div>your MPI installation has to be brogen. mpicc always has to be able to find libmpi. Please reinstall mpi correctly.</div><div><br></div><div>Roland<br><br><div class="gmail_quote"><div><div></div><div class="h5">
On Sat, Jan 30, 2010 at 11:06 AM, Chandan Choudhury <span dir="ltr"><<a href="mailto:iitdckc@gmail.com" target="_blank">iitdckc@gmail.com</a>></span> wrote:<br>
</div></div><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><div></div><div class="h5">Hi gmx users !!<br><br>On compiling GMX paralley, following error was encountered. How can I tackle this.<br>
Kindly help.<br>
<br><br>checking for mpicc... mpicc<br>checking whether the MPI cc command works... configure: error: Cannot compile and link MPI code with mpicc<br>
<br>The config.log file reads<br><br>configure:4536: checking for mpicc<br>configure:4552: found /usr/lib/mpi/gcc/openmpi/bin/mpicc<br>configure:4563: result: mpicc<br>configure:4577: checking whether the MPI cc command works<br>
configure:4601: mpicc -o conftest -g -O2 -I/usr/local/openmpi/include/ conftest.c >&5<br>/usr/lib/gcc/i586-suse-linux/4.4/../../../../i586-suse-linux/bin/ld: cannot find -lmpi<br>collect2: ld returned 1 exit status<br>
configure:4607: $? = 1<br>configure: failed program was:<br>| /* confdefs.h. */<br>| #define PACKAGE_NAME "gromacs"<br>| #define PACKAGE_TARNAME "gromacs"<br> #define PACKAGE_VERSION "4.0.7"<br>
| #define PACKAGE_STRING "gromacs 4.0.7"<br>| #define PACKAGE_BUGREPORT "<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>"<br>| #define PACKAGE "gromacs"<br>| #define VERSION "4.0.7"<br>
| #define GMX_SOFTWARE_SQRT<br>| #define GMX_QMMM_GAUSSIAN<br>| #define BUILD_TIME "Sat Jan 30 21:42:50 IST 2010"<br>| #define BUILD_USER "root@shiraz"<br>| #define BUILD_MACHINE "Linux 2.6.31.5-0.1-desktop i686"<br>
| /* end confdefs.h. */<br>| #include <mpi.h><br>| int<br>| main ()<br>| {<br>| int argc; char **argv; MPI_Init(&argc,&argv);<br>| ;<br>| return 0;<br>| }<br>configure:4619: error: Cannot compile and link MPI code with mpicc<br>
<br><br clear="all">Chandan<br><font color="#888888"><br>--<br>Chandan kumar Choudhury<br>NCL, Pune<br>INDIA<br>
</font><br></div></div>--<br>
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