I tried ldd `which mdrun_mpi` output is :-
###########################################################################
$ldd `which mdrun_mpi`
libnsl.so.1 => /lib64/libnsl.so.1 (0x0000002a95687000)
libXm.so.3 => /usr/X11R6/lib64/libXm.so.3 (0x0000002a9579e000)
libXt.so.6 => /usr/X11R6/lib64/libXt.so.6 (0x0000002a95b2e000)
libSM.so.6 => /usr/X11R6/lib64/libSM.so.6 (0x0000002a95c8e000)
libICE.so.6 => /usr/X11R6/lib64/libICE.so.6 (0x0000002a95d98000)
libXext.so.6 => /usr/X11R6/lib64/libXext.so.6 (0x0000002a95eb2000)
libXp.so.6 => /usr/X11R6/lib64/libXp.so.6 (0x0000002a95fc3000)
libX11.so.6 => /usr/X11R6/lib64/libX11.so.6 (0x0000002a960cc000)
libxml2.so.2 => /usr/lib64/libxml2.so.2 (0x0000002a962c0000)
libz.so.1 => /usr/lib64/libz.so.1 (0x0000002a964d9000)
libpthread.so.0 => /lib64/tls/libpthread.so.0 (0x0000002a965e7000)
libm.so.6 => /lib64/tls/libm.so.6 (0x0000002a966fc000)
libc.so.6 => /lib64/tls/libc.so.6 (0x0000002a96884000)
libXmu.so.6 => /usr/X11R6/lib64/libXmu.so.6 (0x0000002a96ac8000)
libdl.so.2 => /lib64/libdl.so.2 (0x0000002a96be2000)
/lib64/ld-linux-x86-64.so.2 => /lib64/ld-linux-x86-64.so.2
(0x0000002a95556000)
##################################################################################
what can we conclude from this output ??
I will try "make CFLAGS=-g install" option also....then i will come back to
you.
Thanks a lot !
best regards,
Alok Jain
----- Original Message -----
From: "David van der Spoel" <[EMAIL PROTECTED]>
To: "Discussion list for GROMACS users" <[email protected]>
Sent: Thursday, June 08, 2006 8:25 PM
Subject: Re: [gmx-users] GROMACS with MPICH on Sun Cluster
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
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