prefix=~/votca
version=master # or 'stable' or 'v1.4.1'
git clone -b ${version} --recursive https://github.com/votca/votca.git
cd votca
mkdir build
cd build
cmake -DBUILD_OWN_GROMACS=ON ..
make -j5
make install
I collected the stderr and stdout after running this script and attached it to this file.
My question is, is the software package that I have downloaded meant for GROMACS simulations, and GROMACS simulations only? Would I need to download the non-GROMACS version if I were running simulation using LAMMPS?
Should I be concerned by the standard output/standard errors that have taken place? there seem to be plenty of things, and I honestly don't know how to process all of the information...
Thank you for any advice you have!
Satyen
GROMACS: gmx, version 2020.5
Executable: /home/satyend/.local/bin/gmx
Data prefix: /home/satyend/.local
Working dir: /home/satyend
Command line:
Thank you so much for your response Christoph!when I do gmx -h on my cluster, I still see the following piece in my output:GROMACS: gmx, version 2020.5
Executable: /home/satyend/.local/bin/gmx
Data prefix: /home/satyend/.local
Working dir: /home/satyend
Command line:
gmx -hDoes this mean that there is something wrong with my installation of votca? Should I get a fresh copy of Gromacs which is less than 2020.5 (19.6 perhaps)?
I will get on with updating my gcc version and obtaining Eigen.
To view this discussion on the web visit https://groups.google.com/d/msgid/votca/92d7824b-6f71-4af5-8f6c-be194b832ddcn%40googlegroups.com.
Hi Christoph,Thank you for your advice. I used spack to obtain all of my dependencies using the script:git clone clone https://github.com/spack/spack.git spacksource spack/share/spack/setup-env.shspack install votca-csgI am going through your tutorials, but I am trying to find the directory where all the executables are so I can run the commands csg_map, csg_dump and so on. At the moment, I am trying to execute the csg_stat and csg_map command (in the atomistic spce simulation), but bash is not finding those commands...
To view this discussion on the web visit https://groups.google.com/d/msgid/votca/5c01873c-29d1-4f10-ac61-c44aafd55719n%40googlegroups.com.