Hi Paul,
Thank you for your e-mail. I forgot to note that without the plumed patch,
the situation remains still problematic. The vanilla versions produce the
same errors (segmentation faults), even without any specific input files.
Just running the command e.g. gmx(_mpi) grompp, or gmx(_mpi)
Hello,
could you try running first with an unmodified version of GROMACS, so we
can check if the PLUMED modifications are responsible for the crashes
(unlikely for the tools, but we need to make sure)?
If the vanilla versions are still crashing, can you supply us with some
log files and input
Dear all,
I am running Mac OS Catalina 10.15.1 (Xcode 11.2 11B52). I have
successfully compiled several versions of Gromacs (5.1.5, 2018.8, or
2019.4) patched with plumed (v.2.4.6 for 5.1.5, or v.2.5.3 for 2018/2019
versions). The compilations are completed without any errors, employing the
