Matt Schramm commented on issue #5542 at GROMACS / GROMACS

Matt Schramm
2026-01-21T21:07:53Z

Hello, Re-compiled with -DGMX_THREAD_MPI=on. Using 1 OMP_THREADS:

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Program: gmx mdrun, version 2026.0-dev
Source file: src/gromacs/taskassignment/findallgputasks.cpp (line 89)
MPI rank: 1 (out of 16)

Fatal error:
Cannot run short-ranged nonbonded interactions on a GPU because no GPU is
detected.

For more information and tips for troubleshooting, please check the GROMACS
website at https://manual.gromacs.org/current/user-guide/run-time-errors.html
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Using 4 OMP_THREADS

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Program: gmx mdrun, version 2026.0-dev
Source file: src/gromacs/taskassignment/findallgputasks.cpp (line 89)
MPI rank: 1 (out of 4)

Fatal error:
Cannot run short-ranged nonbonded interactions on a GPU because no GPU is
detected.

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