On 9/22/14 3:00 AM, Anurag Dobhal wrote:
I have followed the following steps for installaing gromacs 5.0.1
tar xfz gromacs-5.0.1.tar.gz
cd gromacs-5.0.1
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
make
make check
sudo make install
source
Dear Sathya,
You might have done this but anyway I do the installation using following
commands,
export CMAKE_PREFIX_INSTALL=/share/apps/fftw/3.3.4-gcc-4.8.2
cmake .. -DGMX_OPENMP=ON -DGMX_GPU=ON -DGMX_BUILD_OWN_FFTW=OFF
-DGMX_PREFER_STATIC_LIBS=ON -DCMAKE_BUILD_TYPE=Release
-DGMX_MPI=ON
Hi
I have installed cmake version 2.8.12.2 and gromacs 4.6.3 in centOS. During
installation there was no error. But i didnt get information like Gromacs
has been successfully installed. When i use pdb2gmx or mdrun commands it is
showing command not found. I dont know what is the problem and how
Follow this link
http://www.gromacs.org/Documentation/Installation_Instructions_4.6#4.11._Getting_access_to_GROMACS_after_installation
Chandan
On Thu, Sep 4, 2014 at 10:32 AM, Sathya bti027.2...@gmail.com wrote:
Hi
I have installed cmake version 2.8.12.2 and gromacs 4.6.3 in centOS. During
