[gmx-users] GROMACS with MPICH on Sun Cluster

[Alok]

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" <spoel at xray.bmc.uu.se>
To: "Discussion list for GROMACS users" <gmx-users at gromacs.org>
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
> spoel at xray.bmc.uu.se spoel at gromacs.org   http://folding.bmc.uu.se
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