[gmx-users] can't find "distclean"

sarbani chattopadhyay sarbani_c84 at rediffmail.com
Thu Nov 6 10:38:44 CET 2008

   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,

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