[CP2K-user] [CP2K:17906] Runtime error

[LC]

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

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