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
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
