Odd runtime error -> Condition: numOpenmpThreadsForClearing_ >= 1

User discussions
1

GROMACS version: 2025.0
GROMACS modification: No

Runtime error:

export OMP_NUM_THREADS=2
mpirun -np 20  gmx_mpi mdrun -s  ./input/lignocellulose-rf.BGQ.tpr -ntomp 2

-------------------------------------------------------
Program:     gmx mdrun, version 2025.0
Source file: src/gromacs/domdec/hashedmap.h (line 127)
Function:    auto gmx::HashedMap<gmx_ga2la_t::Entry>::HashedMap(int, int)::(anonymous class)::operator()() const [T = gmx_ga2la_t::Entry]
MPI rank:    0 (out of 20)

Assertion failed:
Condition: numOpenmpThreadsForClearing_ >= 1
Need at least one thread

For more information and tips for troubleshooting, please check the GROMACS
website at https://manual.gromacs.org/current/user-guide/run-time-errors.html

Is this runtime error meant to be user exposed?

2

Hi!

This is a known issue in 2025.0. Please use GROMACS 2025.1, where it is fixed: GROMACS 2025.1 release notes - GROMACS 2025.1 documentation

3

awesome, thanks