[gmx-users] Installation problem

[Mark Abraham]

Hi,

If you have a CUDA-capable GPU, as the instruction guide says, you have no
reason to build with OpenCL support (but perhaps we need to check that the
template tool works properly with OpenCL)

Mark

On Sat, 13 Feb 2016 15:41 Prof. Eddie <eackad at siue.edu> wrote:

> Hi,
> 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
>
> CPU
> 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
> 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
> `clEnqueueMarkerWithWaitList'
>
> Any idea what that belongs to? Any other details let me know.
> Let me know
> Thanks,
> Eddie
>
> 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
> >
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> --
> _________________________________________________________
> Edward Ackad, Ph.D <http://www.siue.edu/%7Eeackad>
> Assistant Professor of Physics
> Computational Nanophotonics
> Southern Illinois University Edwardsville
> (618) 650-2390
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