[gmx-users] Error on mpi installation

Rajiv Gandhi grajiv03 at gmail.com
Fri Oct 19 13:24:19 CEST 2012

Dear Gromacs,

I am trying to install gromacs with mpi enabled in my cluster and i end
up with following error:

libtool: link: cannot find the library `../mdlib/libmd_mpi.la' or unhandled
argument `../mdlib/libmd_mpi.la'
make[1]: *** [libgmxpreprocess_mpi.la] Error

I can able to install gromacs in single precision without having trouble.
However, when i use mpi enabled by using lam-7.4.1 it gives above mentioned
error, I have tried openmpi as it installed in yum install manner but it
shows different error like not even compile it by giving this following
error. configure: error: cannot compute sizeof (off_t)

I have used the command line

./configure --program-suffix=_mpi --enable-mpi --enable-shared

I do not know how to solve this problem. Any suggestion would be
much appreciated.



More information about the gromacs.org_gmx-users mailing list