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