Hello,
Running the H2O-DFT-LS benchmark on 4 GPUs ( 4 MPI tasks per GPU), I get:
CELL_REF| Volume [angstrom^3]: 25825.145
CELL_REF| Vector a [angstrom 29.558 0.000 0.000 |a| = 29.558
CELL_REF| Vector b [angstrom 0.000 29.558 0.000 |b| = 29.558
CELL_REF| Vector c [angstrom 0.000 0.000 29.558 |c| = 29.558
CELL_REF| Angle (b,c), alpha [degree]: 90.000
CELL_REF| Angle (a,c), beta [degree]: 90.000
CELL_REF| Angle (a,b), gamma [degree]: 90.000
CELL_REF| Numerically orthorhombic: YES
[node:117708:0:117708] Caught signal 11 (Segmentation fault: address not mapped to object at address 0x440000
==== backtrace (tid: 117716) ====
0 0x0000000000012b20 __funlockfile() :0
1 0x000000000006d680 PMPI_Comm_set_name() ???:0
2 0x000000000006d680 PMPI_Comm_size() /build-result/src/hpcx-v2.12-gcc-MLNX_OFED_LINUX-5-redhat8-cuda11-gdr
copy2-nccl2.12-x86_64/ompi-1c67bf1c6a156f1ae693f86a38f9d859e99eeb1f/ompi/mpi/c/profile/pcomm_size.c:63
3 0x0000000000029e29 MKLMPI_Comm_size() ???:0
4 0x0000000000027ff1 mkl_blacs_init() ???:0
5 0x0000000000027f38 Cblacs_pinfo() ???:0
6 0x000000000001881f blacs_gridmap_() ???:0
7 0x00000000000181fe blacs_gridinit_() ???:0
8 0x00000000024c422c __cp_blacs_env_MOD_cp_blacs_env_create() ???:0
9 0x0000000000bc22b5 __qs_environment_MOD_qs_init() ???:0
10 0x0000000000c6dded __f77_interface_MOD_create_force_env() ???:0
11 0x00000000004478e4 __cp2k_runs_MOD_cp2k_run() cp2k_runs.F90:0
12 0x000000000044a212 __cp2k_runs_MOD_run_input() ???:0
13 0x000000000043dac1 MAIN__() cp2k.F90:0
14 0x000000000040ec6d main() ???:0
15 0x0000000000023493 __libc_start_main() ???:0
16 0x000000000043ccde _start() ???:0
Any idea why?
L