[gmx-users] Fwd: Segmentation fault with mdrun

[Pavan Kumar]

---------- Forwarded message ----------
From: Pavan Kumar <kumar.pavan006 at gmail.com>
Date: Thu, Feb 20, 2014 at 3:34 PM
Subject: Segmentation fault with mdrun
To: gromacs.org_gmx-users-request at maillist.sys.kth.se


Hello,

I am using gromacs 4.6.5.
I am running my code on the cluster providing 8 nodes and 4 processor each.
I am getting "Segmentation Fault" while running mdrunmpi

My command
*mpirun -n 8 mdrunmpi.4.6.5 -v -deffnm em*

More Details:
*Machine : GNU/Linux x86_64*

*gcc (GCC) 4.3.3 *
*cmake version 2.8.3*

Compilation Details:

*I have compiled my code using mpich compiler *

*cmake .. -DGMX_GPU=OFF -DGMX_MPI=ON
-DCMAKE_C_COMPILER=/opt/mpich2/gnu/bin/mpicc -DGMX_BUILD_OWN_FFTW=ON
-DGMX_CPU_ACCELERATION=SSE2
-DCMAKE_INSTALL_PREFIX=/home/garuda/garuda3/gromacs465*

If there is any problem in compiling the code itself, what is the error and
how it could be corrected.
Please give me any solutions, why i am getting the above error.


-- 
Thanks & Regards,
Pavan Kumar
Project Engineer
CDAC -KP
Ph +91-7676367646



-- 
Thanks & Regards,
Pavan Kumar
Project Engineer
CDAC -KP
Ph +91-7676367646