Hi, I am facing a peculiar problem and may sound stupid, but I need help.
We have a 10.4.1. Mac Os X machine with 2 dual core processors. I had downloaded gromacs 3.3.2 and installed it in this computer using "installer". It added the "gromacs " directory into " "/usr/loca/" directory. I want to run gromacs in parallel, using all the 4 processors. I downloaded the lam 7.0.6 package from gromacs homepage and installed it as per the instructions. The host file that I ceated was /private/etc/lamhost and it read mac-pros-computer.local cpu=2 mac-pros-computer.local cpu=2 The command lamboot -v /private/etc/lamhost gave the following message n-1<291> ssi:boot:base:linear: booting n0 (mac-pros-computer.local) n-1<291> ssi:boot:base:linear: finished But checking with the command "mpirun C ls -al " gives the message It seems that [at least] one of the processes that was started with mpirun did not invoke MPI_INIT before quitting (it is possible that more than one process did not invoke MPI_INIT -- mpirun was only notified of the first one, which was on node n-1073743224). mpirun can *only* be used with MPI programs (i.e., programs that invoke MPI_INIT and MPI_FINALIZE). You can use the "lamexec" program to run non-MPI programs over the lambooted nodes. I need to recompile gromacs or at least "mdrun" for parallel run giving the command "- enable_mpi"on make file, but I can't find the " make" file or the "configure" script anywhere. The /usr/local/gromacs dir has bin/ include/ lib/ share/ In the share/gromacs/template directory there is Makefile.i386-apple-darwin8.10.1. I don't know how to proceed. Any suggestion will be highly helpful. Thanking You, Sarbani
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