building GROMACS 2018.2
I am new to GROMACS and wanted to build the 2018.2 version so that I can do some MD work.
I am following the instructions under "Quick and Dirty Installation" verbatim: http://manual.gromacs.org/documentation/2018/install-guide/index.html
I got the latest version of CUDA and CMAKE. I didn't bother with MPI support since I'm not running on multiple networks. For FFT, I did the following during the cmake step to acquire it
cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON
this went fine, as well as the
make check, I got an error at 97% (where terminal said:
Linking CXX shared library ../../../../lib/libgpu_utilstest_cuda.dylib). the resultant output is attached.
I ran the commands in the folder I made called
I'm unsure how to proceed from here, and what adjustments I need to make so that I can finish building GROMACS.
I don't know if its the new release or me. I'm pretty sure it's the latter, but I would really appreciate guidance here!
Wanted to follow up on this. I want to get rid of this terminal session, but if I close the terminal session and open up a new bash file later and navigate to the correct directory, will the compilation still be at 97% (where it broke down) or will I have to start from scratch?
I urgently need to get GROMACS going on my computer....
#5 Updated by Roland Schulz 5 months ago
- Priority changed from High to Low
As long as there is no indication that this is a bug, this should go to gmx-users not redmine. Lowering to low priority for that reason.
Note that if you use GCC that GCC 4.2.1 isn't supported and you need to user a newer compiler.