Hi Gromacs team, We are installing Gromacs in our environment, with five servers Linux Centos 6. We need use the Gromacs in cluster, because we need make jobs more fast. But we notice that the use of the processor machine is in just one of the servers, in the same server that we started the process. In the Web instructions, i have used the follow line to compile the Gromacs, in each server.
cmake .. -DGMX_BUILD_MDRUN_ONLY=on -DGMX_MPI=ON -DGMX_THREAD_MPI=OFF -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON make make install We have installed the mpich and open-mpi packs in the operation system to accomplish the compilations tasks. All the server are acessible via SSH with keys, and hostnames are in hosts file in each server. What shall we do to make work the Gromacs operations in cluster mode? João Gabriel Curtolo Poiani Laboratório Computacional de Química Farmacêutica Departamento de Ciências Farmacêuticas - FCFRP - USP -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
