Group scheme C kernels fail in complext tests
Found this while trying to run https://gerrit.gromacs.org/#/c/9052/ on the 2019 regression tests30803 Thread 15:
30803 Invalid write of size 4
30803 at 0x5CEFAE9: init_em(_IO_FILE*, gmx::MDLogger const&, char const*, t_commrec const*, gmx_multisim_t const*, t_inputrec*, MdrunOptions const&, t_state*, gmx_mtop_t*, em_state_t*, gmx_localtop_t*, t_nrnb*, t_forcerec*, t_graph**, gmx::MDAtoms*, gmx_global_stat**, gmx_vsite_t*, gmx::Constraints*, gmx_shellfc_t**, int, t_filenm const*) (minimize.cpp:369)
30803 by 0x5CF705D: gmx::Integrator::do_steep() (minimize.cpp:2441)
30803 by 0x5CE5312: gmx::Integrator::run(unsigned int, bool) (integrator.cpp:86)
30803 by 0x5D0B2BF: gmx::Mdrunner::mdrunner() (runner.cpp:1433)
30803 by 0x5D06B5E: gmx::mdrunner_start_fn(void const*) (runner.cpp:219)
30803 by 0x5D87FAE: tMPI_Thread_starter(void*) (tmpi_init.cpp:399)
30803 by 0x5D7F34B: tMPI_Thread_starter(void*) (pthreads.cpp:235)
30803 by 0x6262FA2: start_thread (pthread_create.c:486)
30803 by 0x66977EE: clone (clone.S:95)
30803 Address 0x4 is not stack'd, malloc'd or (recently) free'd
TODO: try to use 2019 with all SIMD support turned off by environment variable
#3 Updated by Mark Abraham 3 months ago
You can't turn off SIMD support with an environment variable. You can force the use of C-only kernels, or the use of the generic kernel. The point of this is to set the baseline for that the generic kernel works, thus whether https://gerrit.gromacs.org/#/c/9052/ is a reasonable idea.
#4 Updated by Paul Bauer 3 months ago
I misunderstood GMX_DISABLE_SIMD_KERNELS then, sorry.
I just ran the 2019 complex/urea test with the head of release-2019 and export GMX_DISABLE_SIMD_KERNELS=1, log attached.
No errors where encountered, so I guess the issue is somewhere else.