[gmx-users] GROMACS with MPICH on Sun Cluster

[David van der Spoel]

Alok wrote:
> I tried mpirun mdrun_mpi -h but I got same error message
> 
> [0] MPI Abort by user Aborting program !
> [0] Aborting program!
> p0_29243:  p4_error: : 0
> 
> Thanks for your kind attention.
> 
Apart from upgrading to FFTW3 and GROMACS 3.3.1, you could try

ldd `which mdrun` to check which libraries are being used. Maybe you are 
mixing different MPI libraries (i.e. compile with one, run with another).

You can also compile by
make distclean
make CFLAGS=-g install

in order to be able to debug

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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