[gmx-users] GROMACS with MPICH on Sun Cluster
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jun 8 16:55:15 CEST 2006
> I tried mpirun mdrun_mpi -h but I got same error message
>  MPI Abort by user Aborting program !
>  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 CFLAGS=-g install
in order to be able to debug
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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