en error in 2020.1

[anthonycbishop]

Muhammad,

Which version of Ubuntu are you running? I ask because I have been having general problems using the gromacs package in the Ubuntu software repositories on Ubuntu 20.04.1. I have also run into problems with my own personal builds.

Several "make check" tests time out and compiled gmx binary hangs

UPDATE: I used sudo apt-get install gromacs on Ubuntu 20.04.1 to get the precompiled binaries of gromacs 2020.1 (different from version 2020.4 as I was using above). The gmx binary also has an identical hanging issue between these two different versions and build methods. I also did a fresh re-installation of the OS, with no improvement. I also tried rebuilding version 2020.4 again with gcc-8.4.0 and CUDA-11.1, as well as just gcc-8.4.0 with graphics card support entirely turned off, so I am …

-AB