Alok wrote:
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 ??
there is no FFT, no MPI, so these are hard linked into the program. That
means you can not have problems with those at least.
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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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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