Arch Linux

Description:

For quite some time now, when using gromacs with cuda in archlinux results in a core dump.

/usr/lib/gcc/x86_64-pc-linux-gnu/11.3.0/include/c++/bits/unique_ptr.h:407: typename std::add_lvalue_reference<_Tp>::type std::unique_ptr<_Tp, _Dp>::operator*() const [with _Tp = DeviceStream; _Dp = std::default_delete<DeviceStream>; typename std::add_lvalue_reference<_Tp>::type = DeviceStream&]: Assertion 'get() != pointer()' failed.
Aborted (core dumped)

If I install the package using `spack` the package runs without problems. This means that the problem is somehow in cuda/gcc11 in arch does anyone have a clue what is going on?


Additional info:
* package version(s)

gromacs@2022.2
cuda: 11.8 (it also happened in previous 11.7 versions)
gcc@11.3.0
* config and/or log files etc.

* link to upstream bug report, if any
N/A

Steps to reproduce:

$ gmx mdrun -v -deffnm step5_11
:-) GROMACS - gmx mdrun, 2022.3-dev (-:

Executable: /usr/bin/gmx
Data prefix: /usr
Working dir: /home/hector/test_gromacs
Command line:
gmx mdrun -v -deffnm step5_11

Reading file step5_11.tpr, VERSION 2022.2 (single precision)
Changing nstlist from 20 to 100, rlist from 1.224 to 1.346

1 GPU selected for this run.
Mapping of GPU IDs to the 2 GPU tasks in the 1 rank on this node:
PP:0,PME:0
PP tasks will do (non-perturbed) short-ranged interactions on the GPU
PP task will update and constrain coordinates on the CPU
PME tasks will do all aspects on the GPU
Using 1 MPI thread
Using 16 OpenMP threads

/usr/lib/gcc/x86_64-pc-linux-gnu/11.3.0/include/c++/bits/unique_ptr.h:407: typename std::add_lvalue_reference<_Tp>::type std::unique_ptr<_Tp, _Dp>::operator*() const [with _Tp = DeviceStream; _Dp = std::default_delete<DeviceStream>; typename std::add_lvalue_reference<_Tp>::type = DeviceStream&]: Assertion 'get() != pointer()' failed.
Aborted (core dumped)