CMake Error at cmake/FindGROMACS.cmake:203

[RAHUL SURESH]

Here is my commands I have used to install mpbsa without APBS, for gromacs

I have unzipped the file

mkdir build
cd build
export CMAKE_PREFIX_PATH=/usr/local/gromacs
cmake -DEXT_APBS=on \-DCMAKE_INSTALL_PREFIX=/usr/local/g_mmpbsa \-DFFTW_LIB=/home/viji/Downloads/Gromacs/gromacs-2016.4/build/src/contrib/fftw/fftwBuild-prefix/lib -DGMX_GPU=off ..

-- The C compiler identification is GNU 5.4.0
-- The CXX compiler identification is GNU 5.4.0
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Found PkgConfig: /usr/bin/pkg-config (found version "0.29.1")
-- Checking for module 'libgromacs'
-- Found libgromacs, version 2016.4
-- Found fftw library: /home/viji/Downloads/Gromacs/gromacs-2016.4/build/src/contrib/fftw/fftwBuild-prefix/lib/libfftw3f.a
-- Found z library: /usr/lib/x86_64-linux-gnu/libz.so
CMake Error at cmake/FindGROMACS.cmake:203 (list):
list index: 2 out of range (-2, 1)
Call Stack (most recent call first):
src/CMakeLists.txt:62 (find_package)


-- Found GROMACS: /usr/local/gromacs/lib/libgromacs.so
-- Found Gromacs include directory: /usr/local/gromacs/include
-- Configuring incomplete, errors occurred!
See also "/home/viji/mmpbsa/build/CMakeFiles/CMakeOutput.log".


nothing found usefull for me from the log file.

How to overcome it.

[Nikhil Maroli]

Gromacs 2016.4 and cmake?

[RAHUL SURESH]

cmake version 3.9.2

gcc (Ubuntu 5.4.0-6ubuntu1~16.04.5) 5.4.0 20160609




On Thursday, December 28, 2017 at 5:22:38 PM UTC+5:30, Nikhil Maroli wrote:

Gromacs 2016.4 and cmake?

[Nikhil Maroli]

You can copy and paste the executable file in the respective folder.

[g_mmpbsa Mailing List]

Compilation and installation of g_mmpbsa is not yet supported for GROMACS-2016.x version. It will not compile.