Re: [gmx-users] gromacs installation with mpi

2012-02-25 Thread Justin A. Lemkul
Sanku M wrote: Hi, I intially tried the following command line for config log: ./configure --prefix=/home/berne/jm3745/UTIL/GROMACS_4.5.4_MPI/ --program-suffix=_4mpi --disable-shared -enable-mpi and in the bash_profile I had set the path for my desired mpi executable: PATH=$PATH:/home/bern

Re: [gmx-users] gromacs installation with mpi

2012-02-25 Thread Justin A. Lemkul
Sanku M wrote: Hi, 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 d