Hi, If I have 2 mpi environments, namely LAM and openMPI, and I want gromacs to use openMPI of the two, what extra option should I pass during the ./configure step? In my case openMPI is installed locally(in my /home folder).
Thanks, Manik On Tue, Mar 3, 2009 at 10:58 PM, Nicolas <nsa...@ucalgary.ca> wrote: > Hi, > > As mentioned by the error message: > > Please run the "lamboot" command the start the LAM/MPI runtime > > Before using Lam, you have to boot it. In my scripts, I've got something > like: > > lamboot -v $PBS_NODEFILE > lamrun -v -np $NPROC mdrun mdargs > lamhalt > > I don't use Lam often, though, you might need to use different Lam options. > > Nicolas > > Manik Mayur a écrit : > >> Hi, >> >> I have till now successfully used openMPI and gromacs together. Recently I >> got a cluster where I tried to install openMPI and gromacs locally as I >> donot have root priviledges on it. But it turns out that it already has MPI >> environment on it (LAM) which I donot want to use (as the version is quite >> old.. the cluster still has gcc-3.2.3!). >> So after installing openMPI 1.3 and gromacs 4.0.4 on it (in my /home >> folder), I tried to execute: >> >> $/home/openmpi/bin/mpirun -np 4 mdrun_4_mpi -s eql_mpi.tpr -o eql_mpi.trr >> >> It gives the following error: >> >> >> ----------------------------------------------------------------------------- >> It seems that there is no lamd running on this host, which indicates >> that the LAM/MPI runtime environment is not operating. The LAM/MPI >> runtime environment is necessary for MPI programs to run (the MPI >> program tired to invoke the "MPI_Init" function). >> >> Please run the "lamboot" command the start the LAM/MPI runtime >> environment. See the LAM/MPI documentation for how to invoke >> "lamboot" across multiple machines. >> >> ----------------------------------------------------------------------------- >> >> My question is - Why it still tries to look for LAM environment or lamd? I >> will be extremely thankful if somebody gives a hint. >> >> -Manik >> -- >> Graduate student >> Microfluidics Lab >> Dept. of Mechanical Engg. >> IIT Kharagpur >> ------------------------------------------------------------------------ >> >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> http://www.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use the www >> interface or send it to gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Graduate student Microfluidics Lab Dept. of Mechanical Engg. IIT Kharagpur
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