[gmx-users] Compiling GROMACS with fftw3

mcfc1301 mcfc1301 at gmail.com
Wed Nov 20 04:12:30 CET 2013


Thank you Justin for your remind.

I have typed exactly 

*CMAKE_PREFIX_PATH=/path/to/fftw3/ cmake .. -DGMX_DOUBLE=ON
-DGMX_INSTALL_PREFIX=/path/to/gromacs*

I wish the *-DGMX_INSTALL_PREFIX=/path/to/gromacs* will make the gromacs
being installed at */path/to/gromacs* after

*make
make install*

But it does not.

The *make* looks fine with no error message shown but *make install* gives
the output 

*-- Install configuration: "Release"
CMake Error at cmake_install.cmake:44 (FILE):
  file cannot create directory: /usr/local/gromacs/share/gromacs.  Maybe
need
  administrative privileges.
*

which echoes the fact that I do not have the power of root and that is why I
wish to install it at my home directory.

Any experience sharing is highly appreciated.

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