Dear Sir,
Thanks for your reply.
With Change in host_config.h it worked fine. But It needed full Cuda folder
to be copied into
my home area.
Can we compile gromacs-4.6.4 gpu version with *pgi* compiler?
I* used below command :*
/cmake-2.8.12.1/bin/cmake -DGMX_FFT_LIBRARY=mkl
On Thu, Feb 13, 2014 at 9:03 AM, Chaitali Chandratre
chaitujo...@gmail.comwrote:
Dear Sir,
Thanks for your reply.
With Change in host_config.h it worked fine. But It needed full Cuda folder
to be copied into
my home area.
Can we compile gromacs-4.6.4 gpu version with *pgi* compiler?
On Tue, Feb 11, 2014 at 6:12 AM, Chaitali Chandratre
chaitujo...@gmail.com wrote:
Dear Sir,
Below is error message for gromacs-4.6.4 gpu enabled install:
---
make error :
Dear Sir,
I have question w.r.t gromacs-4.6.4 installation with GPU support.
I have installed non-GPU vesion(for 4.6.4) and it works fine.
But while compiling with gpu (-DGMX_GPU=ON
-DCUDA_TOOLKIT_ROOT_DIR=/opt/CUDA-5.5)
It gives compilation error. The node is having gpu card fermi and cuda5.5.
On Mon, Feb 10, 2014 at 1:27 PM, Chaitali Chandratre
chaitujo...@gmail.com wrote:
Dear Sir,
I have question w.r.t gromacs-4.6.4 installation with GPU support.
I have installed non-GPU vesion(for 4.6.4) and it works fine.
But while compiling with gpu (-DGMX_GPU=ON
Dear Sir,
Below is error message for gromacs-4.6.4 gpu enabled install:
---
make error :
[chaitalij@gpu4 build-gpu]$ make
[ 0%] Building NVCC (Device) object