[gmx-users] gromacs installation with mpi
msanku65 at yahoo.com
Sat Feb 25 23:01:17 CET 2012
I am using a cluster where user/local/bin has some old mpi executable. But, I have installed openmpi-1.3 in my own home directory so that I can use that for installing gromacs4.5.4 parallel version. I have also updated the path with the openmpi bin directory and library directory in the bash profile.
But, each time, I try to configure gromacs4.5.4 using enable-mpi mode, it always looks into the mpi installed in /usr/local/bin directory anad crashes saying that the mpicc is not compatible.
I wonder whether there is any particular flag I can use so that I can force gromacs to look for openmpi bin and lib folder installed in my home directory.
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