[gmx-users] Installation problem

Prof. Eddie eackad at siue.edu
Sat Feb 13 15:41:16 CET 2016

The system has a gpu (gtx 590) with cuda libraries installed (I've run namd
on the system). It also has mpi:
mpic++           mpiCC            mpiCC.openmpi    mpicxx           mpiexec
         mpif77           mpif90           mpirun
mpicc            mpicc.openmpi    mpic++.openmpi   mpicxx.openmpi
mpiexec.openmpi  mpif77.openmpi   mpif90.openmpi   mpirun.openmpi

Architecture:          x86_64
CPU op-mode(s):        32-bit, 64-bit
Byte Order:            Little Endian
CPU(s):                8
On-line CPU(s) list:   0-7
Thread(s) per core:    1
Core(s) per socket:    8
Socket(s):             1
NUMA node(s):          2
Vendor ID:             AuthenticAMD
CPU family:            16
Model:                 9
Stepping:              1
CPU MHz:               800.000
BogoMIPS:              4000.02
Virtualization:        AMD-V
L1d cache:             64K
L1i cache:             64K
L2 cache:              512K
L3 cache:              5118K
NUMA node0 CPU(s):     0-3
NUMA node1 CPU(s):     4-7

gcc version 4.8.4 (Ubuntu 4.8.4-2ubuntu1~14.04.1)

The error was about ../../lib/libgromacs.so.1.2.0: undefined reference to

Any idea what that belongs to? Any other details let me know.
Let me know

On Fri, Feb 12, 2016 at 11:26 PM, Nikhil Maroli <scinikhil at gmail.com> wrote:

> Hi,
> What is your system details?Do you have GPU ,if yes CUDA library is
> installed?
> if not please install CUDA library and MPI packages too!
> hope it will fix
> --
> Gromacs Users mailing list
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.

Edward Ackad, Ph.D <http://www.siue.edu/%7Eeackad>
Assistant Professor of Physics
Computational Nanophotonics
Southern Illinois University Edwardsville
(618) 650-2390

More information about the gromacs.org_gmx-users mailing list