Re: [gmx-users] MPI ERROR while installing GMX4.0.7

Dear Nuno thanks for your helpful suggestion. It worked successful. But the following command mpirun -np 2 mdrun_mpi_d -v -s em_1.tpr -c em_1.pdb doesnt seem to run parallely. I have mentiond the output below. ban...@corsica:~/CKC/L2PJR> mpirun -np 2 mdrun_mpi_d -v -s em_1.t

Re: [gmx-users] MPI ERROR while installing GMX4.0.7

Hello! I had the same problem, and for me the solution was to set up the openmpi/lib directory. The compiler is not able to find it alone. I'm using bash, so for me the solution was: export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/your/directory/openmpi/lib of course you have to change "/your/director

[gmx-users] MPI ERROR while installing GMX4.0.7

Hello gmx-users !! I am trying to install gromacs 4.0.7 double precision with mpi. I downloaded openmpi-1.4. and installed it. Then executed ./configure --enable-mpi --program-suffix=_mpi_d --prefix=/usr/local/gromacs407_double_mpi --enable-double It showed checking for mpicc... mpicc checking w