[gmx-users] Running mpi gromacs on solaris 9

[itai bloch]

Hi all,

I have tried to install gromacs on solaris 9.
I am not an expert in this so I will try to describe my problem the best...

I have managed to install the double precision version.
BUT, when I installed mpi gromacs on the same machine, I had two problems:

1. Using grompp (on 4 nodes) has given an extra error (that didn't
occur on other mechine we used for the same system) - that the system
is not neutral (although I added counter ions). Its a minor charge
("System has non-zero total charge: 2.290308e-05") but I have never
had such thing before and also when I use dp gromcs it doesn't
happened.

2. Running mdrun on 4 nodes, stoped after few seconds with the
"run_name.job" file stating:
MPI process rank 3 (n0, p23154) caught a SIGBUS in MPI_Alltoall.
-----------------------------------------------------------------------------

One of the processes started by mpirun has exited with a nonzero exit
code.  This typically indicates that the process finished in error.
If your process did not finish in error, be sure to include a "return
0" or "exit(0)" in your C code before exiting the application.

PID 23151 failed on node n0 with exit status 1.
-----------------------------------------------------------------------------

Can you please help me with this problem?

Thanks, Itai.