[CP2K-user] [CP2K:20800] Re: compilation problems - LHS and RHS of an assignment statement have incompatible types
bartosz mazur
bamaz.97 at gmail.com
Tue Oct 22 09:56:40 UTC 2024
I was loading it as it was needed for compilation. I have unloaded the
module, but the error still occurs:
```
LIBXSMM_VERSION: develop-1.17-3834 (25693946)
CLX/DP TRY JIT STA COL
0..13 2 2 0 0
14..23 0 0 0 0
24..64 0 0 0 0
Registry and code: 13 MB + 16 KB (gemm=2)
Command (PID=15485):
/lustre/pd01/hpc-kuchta-1716987452/software/cp2k/exe/local/cp2k.psmp -i
H2O-9.inp -o H2O-9.out
Uptime: 1.757102 s
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 0 PID 15485 RUNNING AT r30c01b01
= KILLED BY SIGNAL: 11 (Segmentation fault)
===================================================================================
===================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= RANK 1 PID 15486 RUNNING AT r30c01b01
= KILLED BY SIGNAL: 9 (Killed)
===================================================================================
```
and the last 100 lines:
```
000000:000002>> 11 37 pw_create_c1d
start
Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 11 37 pw_create_c1d
0.000
Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 10 64 pw_pool_create_pw
0.000
Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 10 25 pw_copy start
Hostmem:
697 MB GPUmem: 0 MB
000000:000002<< 10 25 pw_copy 0.001
Hostmem:
697 MB GPUmem: 0 MB
000000:000002>> 10 17 pw_axpy start
Hostmem:
697 MB GPUmem: 0 MB
000000:000002<< 10 17 pw_axpy 0.001
Hostmem:
697 MB GPUmem: 0 MB
000000:000002>> 10 19 mp_sum_d start
Hostmem:
697 MB GPUmem: 0 MB
000000:000002<< 10 19 mp_sum_d 0.000
Hostmem:
697 MB GPUmem: 0 MB
000000:000002>> 10 3 pw_poisson_solve
start
Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 11 3 pw_poisson_rebuild
s
tart Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 11 3 pw_poisson_rebuild
0
.000 Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 11 65 pw_pool_create_pw
st
art Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 38 pw_create_c1d
sta
rt Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 38 pw_create_c1d
0.0
00 Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 11 65 pw_pool_create_pw
0.
000 Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 11 26 pw_copy start
Hostme
m: 697 MB GPUmem: 0 MB
000000:000002<< 11 26 pw_copy 0.001
Hostme
m: 697 MB GPUmem: 0 MB
000000:000002>> 11 3 pw_multiply_with
sta
rt Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 11 3 pw_multiply_with
0.0
01 Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 11 27 pw_copy start
Hostme
m: 697 MB GPUmem: 0 MB
000000:000002<< 11 27 pw_copy 0.001
Hostme
m: 697 MB GPUmem: 0 MB
000000:000002>> 11 3 pw_integral_ab
start
Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 20 mp_sum_d
start Ho
stmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 20 mp_sum_d
0.001 Ho
stmem: 697 MB GPUmem: 0 MB
000000:000002<< 11 3 pw_integral_ab
0.004
Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 11 4 pw_poisson_set
start
Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 66 pw_pool_create_pw
start Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 13 39 pw_create_c1d
start Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 13 39 pw_create_c1d
0.000 Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 66 pw_pool_create_pw
0.000 Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 28 pw_copy
start Hos
tmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 28 pw_copy
0.001 Hos
tmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 7 pw_derive
start H
ostmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 7 pw_derive
0.002 H
ostmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 67 pw_pool_create_pw
start Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 13 40 pw_create_c1d
start Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 13 40 pw_create_c1d
0.000 Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 67 pw_pool_create_pw
0.000 Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 29 pw_copy
start Hos
tmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 29 pw_copy
0.001 Hos
tmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 8 pw_derive
start H
ostmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 8 pw_derive
0.002 H
ostmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 68 pw_pool_create_pw
start Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 13 41 pw_create_c1d
start Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 13 41 pw_create_c1d
0.000 Hostmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 68 pw_pool_create_pw
0.000 Hostmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 30 pw_copy
start Hos
tmem: 697 MB GPUmem: 0 MB
000000:000002<< 12 30 pw_copy
0.001 Hos
tmem: 697 MB GPUmem: 0 MB
000000:000002>> 12 9 pw_derive
start H
ostmem: 697 MB GPUmem: 0 MB
```
This is the list of currently loaded modules (all come with intel):
```
Currently Loaded Modulefiles:
1) GCCcore/13.3.0 7)
impi/2021.13.0-intel-compilers-2024.2.0
2) zlib/1.3.1-GCCcore-13.3.0 8) imkl/2024.2.0
3) binutils/2.42-GCCcore-13.3.0 9) iimpi/2024a
4) intel-compilers/2024.2.0 10) imkl-FFTW/2024.2.0-iimpi-2024a
5) numactl/2.0.18-GCCcore-13.3.0 11) intel/2024a
6) UCX/1.16.0-GCCcore-13.3.0
```
wtorek, 22 października 2024 o 11:12:57 UTC+2 Frederick Stein napisał(a):
> Dear Bartosz,
> I am currently running some tests with the latest Intel compiler myself.
> What bothers me about your setup is the module GCC13/13.3.0 . Why is it
> loaded? Can you unload it? This would at least reduce potential
> interferences with between the Intel and the GCC compilers.
> Best,
> Frederick
>
> bartosz mazur schrieb am Montag, 21. Oktober 2024 um 16:33:45 UTC+2:
>
>> The error for ssmp is:
>>
>> ```
>> LIBXSMM_VERSION: develop-1.17-3834 (25693946)
>> CLX/DP TRY JIT STA COL
>> 0..13 4 4 0 0
>> 14..23 0 0 0 0
>> 24..64 0 0 0 0
>> Registry and code: 13 MB + 32 KB (gemm=4)
>> Command (PID=54845):
>> /lustre/pd01/hpc-kuchta-1716987452/software/cp2k/exe/local/cp2k.ssmp -i
>> H2O-9.inp -o H2O-9.out
>> Uptime: 2.861583 s
>> /var/spool/slurmd/r30c01b15/job3120330/slurm_script: line 36: 54845
>> Segmentation fault (core dumped)
>> /lustre/pd01/hpc-kuchta-1716987452/software/cp2k/exe/local/cp2k.ssmp -i
>> H2O-9.inp -o H2O-9.out
>> ```
>>
>> and the last 100 lines of output:
>>
>> ```
>> 000000:000001>> 12 20 mp_sum_d
>> start Ho
>> stmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 12 20 mp_sum_d
>> 0.000 Ho
>> stmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 11 13 dbcsr_dot_sd
>> 0.000 H
>> ostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 10 12 calculate_ptrace_kp
>> 0.0
>> 00 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 9 6
>> evaluate_core_matrix_traces
>> 0.000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 9 6 rebuild_ks_matrix
>> start Ho
>> stmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 10 6
>> qs_ks_build_kohn_sham_matrix
>> start Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 11 140 pw_pool_create_pw
>> st
>> art Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 12 79 pw_create_c1d
>> sta
>> rt Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 12 79 pw_create_c1d
>> 0.0
>> 00 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 11 140 pw_pool_create_pw
>> 0.
>> 000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 11 141 pw_pool_create_pw
>> st
>> art Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 12 80 pw_create_c1d
>> sta
>> rt Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 12 80 pw_create_c1d
>> 0.0
>> 00 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 11 141 pw_pool_create_pw
>> 0.
>> 000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 11 61 pw_copy start
>> Hostme
>> m: 380 MB GPUmem: 0 MB
>> 000000:000001<< 11 61 pw_copy 0.004
>> Hostme
>> m: 380 MB GPUmem: 0 MB
>> 000000:000001>> 11 35 pw_axpy start
>> Hostme
>> m: 380 MB GPUmem: 0 MB
>> 000000:000001<< 11 35 pw_axpy 0.002
>> Hostme
>> m: 380 MB GPUmem: 0 MB
>> 000000:000001>> 11 6 pw_poisson_solve
>> sta
>> rt Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 12 6
>> pw_poisson_rebuild
>> start Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 12 6
>> pw_poisson_rebuild
>> 0.000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 12 142
>> pw_pool_create_pw
>> start Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 13 81 pw_create_c1d
>>
>> start Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 13 81 pw_create_c1d
>>
>> 0.000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 12 142
>> pw_pool_create_pw
>> 0.000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 12 62 pw_copy
>> start Hos
>> tmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 12 62 pw_copy
>> 0.003 Hos
>> tmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 12 6 pw_multiply_with
>>
>> start Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 12 6 pw_multiply_with
>>
>> 0.002 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 12 63 pw_copy
>> start Hos
>> tmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 12 63 pw_copy
>> 0.003 Hos
>> tmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 12 6 pw_integral_ab
>> st
>> art Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 12 6 pw_integral_ab
>> 0.
>> 005 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 12 7 pw_poisson_set
>> st
>> art Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 13 143
>> pw_pool_create_pw
>> start Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 14 82
>> pw_create_c1d
>> start Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 14 82
>> pw_create_c1d
>> 0.000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 13 143
>> pw_pool_create_pw
>> 0.000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 13 64 pw_copy
>> start
>> Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 13 64 pw_copy
>> 0.003
>> Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 13 16 pw_derive
>> star
>> t Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 13 16 pw_derive
>> 0.00
>> 6 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 13 144
>> pw_pool_create_pw
>> start Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 14 83
>> pw_create_c1d
>> start Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 14 83
>> pw_create_c1d
>> 0.000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 13 144
>> pw_pool_create_pw
>> 0.000 Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 13 65 pw_copy
>> start
>> Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001<< 13 65 pw_copy
>> 0.004
>> Hostmem: 380 MB GPUmem: 0 MB
>> 000000:000001>> 13 17 pw_derive
>> star
>> t Hostmem: 380 MB GPUmem: 0 MB
>> ```
>>
>> for psmp the last 100 lines is:
>>
>> ```
>> 000000:000002<< 9 7
>> evaluate_core_matrix_traces
>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 9 7 rebuild_ks_matrix
>> start Ho
>>
>> stmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 10 7
>> qs_ks_build_kohn_sham_matrix
>> start Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 11 164 pw_pool_create_pw
>> st
>> art Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 12 93 pw_create_c1d
>> sta
>> rt Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 12 93 pw_create_c1d
>> 0.0
>> 00 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 11 164 pw_pool_create_pw
>> 0.
>> 000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 11 165 pw_pool_create_pw
>> st
>> art Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 12 94 pw_create_c1d
>> sta
>> rt Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 12 94 pw_create_c1d
>> 0.0
>> 00 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 11 165 pw_pool_create_pw
>> 0.
>> 000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 11 73 pw_copy start
>> Hostme
>>
>> m: 693 MB GPUmem: 0 MB
>> 000000:000002<< 11 73 pw_copy 0.001
>> Hostme
>>
>> m: 693 MB GPUmem: 0 MB
>> 000000:000002>> 11 41 pw_axpy start
>> Hostme
>>
>> m: 693 MB GPUmem: 0 MB
>> 000000:000002<< 11 41 pw_axpy 0.001
>> Hostme
>>
>> m: 693 MB GPUmem: 0 MB
>> 000000:000002>> 11 52 mp_sum_d
>> start Hostm
>>
>> em: 693 MB GPUmem: 0 MB
>> 000000:000002<< 11 52 mp_sum_d
>> 0.000 Hostm
>>
>> em: 693 MB GPUmem: 0 MB
>> 000000:000002>> 11 7 pw_poisson_solve
>> sta
>> rt Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 12 7
>> pw_poisson_rebuild
>> start Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 12 7
>> pw_poisson_rebuild
>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 12 166
>> pw_pool_create_pw
>>
>> start Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 13 95 pw_create_c1d
>>
>> start Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 13 95 pw_create_c1d
>>
>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 12 166
>> pw_pool_create_pw
>>
>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 12 74 pw_copy
>> start Hos
>>
>> tmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 12 74 pw_copy
>> 0.001 Hos
>>
>> tmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 12 7 pw_multiply_with
>>
>> start Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 12 7 pw_multiply_with
>>
>> 0.001 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 12 75 pw_copy
>> start Hos
>>
>> tmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 12 75 pw_copy
>> 0.001 Hos
>>
>> tmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 12 7 pw_integral_ab
>> st
>> art Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 13 53 mp_sum_d
>> start
>>
>> Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 13 53 mp_sum_d
>> 0.000
>>
>> Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 12 7 pw_integral_ab
>> 0.
>> 003 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 12 8 pw_poisson_set
>> st
>> art Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 13 167
>> pw_pool_create_pw
>> start Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 14 96
>> pw_create_c1d
>>
>> start Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 14 96
>> pw_create_c1d
>>
>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 13 167
>> pw_pool_create_pw
>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 13 76 pw_copy
>> start
>> Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 13 76 pw_copy
>> 0.001
>> Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 13 19 pw_derive
>> star
>> t Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 13 19 pw_derive
>> 0.00
>> 2 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 13 168
>> pw_pool_create_pw
>> start Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 14 97
>> pw_create_c1d
>> start Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 14 97
>> pw_create_c1d
>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 13 168
>> pw_pool_create_pw
>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 13 77 pw_copy
>> start
>> Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002<< 13 77 pw_copy
>> 0.001
>> Hostmem: 693 MB GPUmem: 0 MB
>> 000000:000002>> 13 20 pw_derive
>> star
>> t Hostmem: 693 MB GPUmem: 0 MB
>> ```
>>
>> Thanks
>> Bartosz
>>
>> poniedziałek, 21 października 2024 o 08:58:34 UTC+2 Frederick Stein
>> napisał(a):
>>
>>> Dear Bartosz,
>>> I have no idea about the issue with LibXSMM.
>>> Regarding the trace, I do not know either as there is not much that
>>> could break in pw_derive (it just performs multiplications) and the
>>> sequence of operations is to unspecific. It may be that the code actually
>>> breaks somewhere else. Can you do the same with the ssmp and post the last
>>> 100 lines? This way, we remove the asynchronicity issues for backtraces
>>> with the psmp version.
>>> Best,
>>> Frederick
>>>
>>> bartosz mazur schrieb am Sonntag, 20. Oktober 2024 um 16:47:15 UTC+2:
>>>
>>>> The error is:
>>>>
>>>> ```
>>>> LIBXSMM_VERSION: develop-1.17-3834 (25693946)
>>>> CLX/DP TRY JIT STA COL
>>>> 0..13 2 2 0 0
>>>> 14..23 0 0 0 0
>>>>
>>>> 24..64 0 0 0 0
>>>> Registry and code: 13 MB + 16 KB (gemm=2)
>>>> Command (PID=2607388):
>>>> /lustre/pd01/hpc-kuchta-1716987452/software/cp2k/exe/local/cp2k.psmp -i
>>>> H2O-9.inp -o H2O-9.out
>>>> Uptime: 5.288243 s
>>>>
>>>>
>>>>
>>>> ===================================================================================
>>>> = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
>>>> = RANK 0 PID 2607388 RUNNING AT r21c01b10
>>>>
>>>> = KILLED BY SIGNAL: 11 (Segmentation fault)
>>>>
>>>> ===================================================================================
>>>>
>>>>
>>>> ===================================================================================
>>>> = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
>>>> = RANK 1 PID 2607389 RUNNING AT r21c01b10
>>>> = KILLED BY SIGNAL: 9 (Killed)
>>>>
>>>> ===================================================================================
>>>> ```
>>>>
>>>> and the last 20 lines:
>>>>
>>>> ```
>>>> 000000:000002<< 13 76 pw_copy
>>>> 0.001
>>>> Hostmem: 693 MB GPUmem: 0 MB
>>>> 000000:000002>> 13 19 pw_derive
>>>> star
>>>> t Hostmem: 693 MB GPUmem: 0 MB
>>>> 000000:000002<< 13 19 pw_derive
>>>> 0.00
>>>> 2 Hostmem: 693 MB GPUmem: 0 MB
>>>> 000000:000002>> 13 168
>>>> pw_pool_create_pw
>>>> start Hostmem: 693 MB GPUmem: 0 MB
>>>> 000000:000002>> 14 97
>>>> pw_create_c1d
>>>> start Hostmem: 693 MB GPUmem: 0 MB
>>>> 000000:000002<< 14 97
>>>> pw_create_c1d
>>>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>>>> 000000:000002<< 13 168
>>>> pw_pool_create_pw
>>>> 0.000 Hostmem: 693 MB GPUmem: 0 MB
>>>> 000000:000002>> 13 77 pw_copy
>>>> start
>>>> Hostmem: 693 MB GPUmem: 0 MB
>>>> 000000:000002<< 13 77 pw_copy
>>>> 0.001
>>>> Hostmem: 693 MB GPUmem: 0 MB
>>>> 000000:000002>> 13 20 pw_derive
>>>> star
>>>> t Hostmem: 693 MB GPUmem: 0 MB
>>>> ```
>>>>
>>>> Thanks!
>>>> piątek, 18 października 2024 o 17:18:39 UTC+2 Frederick Stein
>>>> napisał(a):
>>>>
>>>>> Please pick one of the failing tests. Then, add the TRACE keyword to
>>>>> the &GLOBAL section and then run the test manually. This increases the size
>>>>> of the output file dramatically (to some million lines). Can you send me
>>>>> the last ~20 lines of the output?
>>>>> bartosz mazur schrieb am Freitag, 18. Oktober 2024 um 17:09:40 UTC+2:
>>>>>
>>>>>> I'm using do_regtests.py script, not make regtesting, but I assume it
>>>>>> makes no difference. As I mentioned in previous message for `--ompthreads
>>>>>> 1` all tests were passed both for ssmp and psmp. For ssmp with
>>>>>> `--ompthreads 2` I observe similar errors as for psmp with the same
>>>>>> setting, I provide example output as attachment.
>>>>>>
>>>>>> Thanks
>>>>>> Bartosz
>>>>>>
>>>>>> piątek, 18 października 2024 o 16:24:16 UTC+2 Frederick Stein
>>>>>> napisał(a):
>>>>>>
>>>>>>> Dear Bartosz,
>>>>>>> What happens if you set the number of OpenMP threads to 1 (add
>>>>>>> '--ompthreads 1' to TESTOPTS)? What errors do you observe in case of the
>>>>>>> ssmp?
>>>>>>> Best,
>>>>>>> Frederick
>>>>>>>
>>>>>>> bartosz mazur schrieb am Freitag, 18. Oktober 2024 um 15:37:43 UTC+2:
>>>>>>>
>>>>>>>> Hi Frederick,
>>>>>>>>
>>>>>>>> thanks again for help. So I have tested different simulation
>>>>>>>> variants and I know that the problem occurs when using OMP. For MPI
>>>>>>>> calculations without OMP all tests pass. I have also tested the effect of
>>>>>>>> the `OMP_PROC_BIND` and `OMP_PLACES` parameters and apart from the
>>>>>>>> effect on simulation time, they have no significant effect on the presence
>>>>>>>> of errors. Below are the results for ssmp:
>>>>>>>>
>>>>>>>> ```
>>>>>>>> OMP_PROC_BIND, OMP_PLACES, correct, total, wrong, failed, time
>>>>>>>> spread, threads, 3850, 4144, 4, 290, 186min
>>>>>>>> spread, cores, 3831, 4144, 3, 310, 183min
>>>>>>>> spread, sockets, 3864, 4144, 3, 277, 104min
>>>>>>>> close, threads, 3879, 4144, 3, 262, 171min
>>>>>>>> close, cores, 3854, 4144, 0, 290, 168min
>>>>>>>> close, sockets, 3865, 4144, 3, 276, 104min
>>>>>>>> master, threads, 4121, 4144, 0, 23, 1002min
>>>>>>>> master, cores, 4121, 4144, 0, 23, 986min
>>>>>>>> master, sockets, 3942, 4144, 3, 199, 219min
>>>>>>>> false, threads, 3918, 4144, 0, 226, 178min
>>>>>>>> false, cores, 3919, 4144, 3, 222, 176min
>>>>>>>> false, sockets, 3856, 4144, 4, 284, 104min
>>>>>>>> ```
>>>>>>>>
>>>>>>>> and psmp:
>>>>>>>>
>>>>>>>> ```
>>>>>>>> OMP_PROC_BIND, OMP_PLACES, results
>>>>>>>> spread, threads, Summary: correct: 4097 / 4227; failed: 130; 495min
>>>>>>>> spread, cores, 26 / 362
>>>>>>>> spread, cores, 26 / 362
>>>>>>>> close, threads, Summary: correct: 4133 / 4227; failed: 94; 484min
>>>>>>>> close, cores, 60 / 362
>>>>>>>> close, sockets, 13 / 362
>>>>>>>> master, threads, 13 / 362
>>>>>>>> master, cores, 79 / 362
>>>>>>>> master, sockets, Summary: correct: 4153 / 4227; failed: 74; 563min
>>>>>>>> false, threads, Summary: correct: 4153 / 4227; failed: 74; 556min
>>>>>>>> false, cores, Summary: correct: 4106 / 4227; failed: 121; 511min
>>>>>>>> false, sockets, 96 / 362
>>>>>>>> not specified, not specified, Summary: correct: 4129 / 4227;
>>>>>>>> failed: 98; 263min
>>>>>>>> ```
>>>>>>>>
>>>>>>>> Any ideas what I could do next to have more information about the
>>>>>>>> source of the problem or maybe you see a potential solution at this stage?
>>>>>>>> I would appreciate any further help.
>>>>>>>>
>>>>>>>> Best
>>>>>>>> Bartosz
>>>>>>>>
>>>>>>>>
>>>>>>>> piątek, 11 października 2024 o 14:30:25 UTC+2 Frederick Stein
>>>>>>>> napisał(a):
>>>>>>>>
>>>>>>>>> Dear Bartosz,
>>>>>>>>> If I am not mistaken, you used 8 OpenMP threads. The test do not
>>>>>>>>> run that efficiently with such a large number of threads. 2 should be
>>>>>>>>> sufficient.
>>>>>>>>> The test result suggests that most of the functionality may work
>>>>>>>>> but due to a missing backtrace (or similar information), it is hard to tell
>>>>>>>>> why they fail. You could also try to run some of the single-node tests to
>>>>>>>>> assess the stability of CP2K.
>>>>>>>>> Best,
>>>>>>>>> Frederick
>>>>>>>>>
>>>>>>>>> bartosz mazur schrieb am Freitag, 11. Oktober 2024 um 13:48:42
>>>>>>>>> UTC+2:
>>>>>>>>>
>>>>>>>>>> Sorry, forgot attachments.
>>>>>>>>>>
>>>>>>>>>>
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