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Thanks Matt,<br>
<br>
Apologies for my late reply it somehow went to the Spam folder.<br>
So, I think it is a building problem but I cannot figure out why or
what can be causing this. What are the responsible modules/libraries
kicking off right after " CELL_REF| Numerically orthorhombic:
YES" ?<br>
<br>
Regards<br>
<br>
<div class="moz-cite-prefix">On 20/10/2022 18:03, Matt Watkins
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:0538a35d-48b7-435d-b84b-e1207abcdf46n@googlegroups.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
I can't directly comment but multiple GPUs per MPI task is
something to set up gradually.
<div>If you can run a gpu on an MPI process, mulitple MPI process
per GPU etc then explain where things break.</div>
<div>Matt<br>
<br>
</div>
<div class="gmail_quote">
<div dir="auto" class="gmail_attr">On Wednesday, 19 October 2022
at 16:34:18 UTC+1 LC wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex;
border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div>It seems that it breaks at Quickstep, could it be a bad
installation? I did not see any error but I could miss a
required library?</div>
<div><br>
</div>
<br>
<div class="gmail_quote">
<div dir="auto" class="gmail_attr">On Wednesday, 19 October
2022 at 14:02:38 UTC+1 LC wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0
0.8ex;border-left:1px solid
rgb(204,204,204);padding-left:1ex">
<div>Hello,</div>
<div><br>
</div>
<div>Running the H2O-DFT-LS benchmark on 4 GPUs ( 4 MPI
tasks per GPU), I get:<br>
</div>
<div><br>
</div>
<div> CELL_REF| Volume [angstrom^3]:
25825.145<br>
CELL_REF| Vector a [angstrom 29.558 0.000
0.000 |a| = 29.558<br>
CELL_REF| Vector b [angstrom 0.000 29.558
0.000 |b| = 29.558<br>
CELL_REF| Vector c [angstrom 0.000 0.000
29.558 |c| = 29.558<br>
CELL_REF| Angle (b,c), alpha [degree]:
90.000<br>
CELL_REF| Angle (a,c), beta [degree]:
90.000<br>
CELL_REF| Angle (a,b), gamma [degree]:
90.000<br>
CELL_REF| Numerically orthorhombic:
YES<br>
[node:117708:0:117708] Caught signal 11 (Segmentation
fault: address not mapped to object at address 0x440000</div>
<div><br>
</div>
<div>==== backtrace (tid: 117716) ====<br>
0 0x0000000000012b20 __funlockfile() :0<br>
1 0x000000000006d680 PMPI_Comm_set_name() ???:0<br>
2 0x000000000006d680 PMPI_Comm_size()
/build-result/src/hpcx-v2.12-gcc-MLNX_OFED_LINUX-5-redhat8-cuda11-gdr<br>
copy2-nccl2.12-x86_64/ompi-1c67bf1c6a156f1ae693f86a38f9d859e99eeb1f/ompi/mpi/c/profile/pcomm_size.c:63<br>
3 0x0000000000029e29 MKLMPI_Comm_size() ???:0<br>
4 0x0000000000027ff1 mkl_blacs_init() ???:0<br>
5 0x0000000000027f38 Cblacs_pinfo() ???:0<br>
6 0x000000000001881f blacs_gridmap_() ???:0<br>
7 0x00000000000181fe blacs_gridinit_() ???:0<br>
8 0x00000000024c422c
__cp_blacs_env_MOD_cp_blacs_env_create() ???:0<br>
9 0x0000000000bc22b5 __qs_environment_MOD_qs_init()
???:0<br>
10 0x0000000000c6dded
__f77_interface_MOD_create_force_env() ???:0<br>
11 0x00000000004478e4 __cp2k_runs_MOD_cp2k_run()
cp2k_runs.F90:0<br>
12 0x000000000044a212 __cp2k_runs_MOD_run_input() ???:0<br>
13 0x000000000043dac1 MAIN__() cp2k.F90:0<br>
14 0x000000000040ec6d main() ???:0<br>
15 0x0000000000023493 __libc_start_main() ???:0<br>
16 0x000000000043ccde _start() ???:0<br>
</div>
<div><br>
</div>
<div>Any idea why?</div>
<div>L<br>
</div>
</blockquote>
</div>
</blockquote>
</div>
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