* Info: "ref-cycles" not supported on pm6-nod059: fallback to "cpu-clock"[pm6-nod059][W: 0/8 L:0/8] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=8 OMP_PLACES={72},{73},{74},{75},{76},{77},{78},{79} /usr/bin/hwloc-bind -l core:0-7.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_gcc14.2.0_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 3/8 L:3/8] *_VISIBLE_DEVICES=1||| OMP_NUM_THREADS=8 OMP_PLACES={96},{97},{98},{99},{100},{101},{102},{103} /usr/bin/hwloc-bind -l core:24-31.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_gcc14.2.0_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 4/8 L:4/8] *_VISIBLE_DEVICES=1,2||| OMP_NUM_THREADS=8 OMP_PLACES={104},{105},{106},{107},{108},{109},{110},{111} /usr/bin/hwloc-bind -l core:32-39.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_gcc14.2.0_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 2/8 L:2/8] *_VISIBLE_DEVICES=0,1||| OMP_NUM_THREADS=8 OMP_PLACES={88},{89},{90},{91},{92},{93},{94},{95} /usr/bin/hwloc-bind -l core:16-23.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_gcc14.2.0_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 6/8 L:6/8] *_VISIBLE_DEVICES=2,3||| OMP_NUM_THREADS=8 OMP_PLACES={120},{121},{122},{123},{124},{125},{126},{127} /usr/bin/hwloc-bind -l core:48-55.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_gcc14.2.0_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 5/8 L:5/8] *_VISIBLE_DEVICES=2||| OMP_NUM_THREADS=8 OMP_PLACES={112},{113},{114},{115},{116},{117},{118},{119} /usr/bin/hwloc-bind -l core:40-47.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_gcc14.2.0_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 7/8 L:7/8] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=8 OMP_PLACES={128},{129},{130},{131},{132},{133},{134},{135} /usr/bin/hwloc-bind -l core:56-63.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_gcc14.2.0_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 8/8 L:8/8] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=8 OMP_PLACES={136},{137},{138},{139},{140},{141},{142},{143} /usr/bin/hwloc-bind -l core:64-71.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_gcc14.2.0_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 1/8 L:1/8] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=8 OMP_PLACES={80},{81},{82},{83},{84},{85},{86},{87} /usr/bin/hwloc-bind -l core:8-15.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_gcc14.2.0_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
---
Reference Paper : The Journal of Chemical Physics 137, 134108 (2012)
Version Number : PSolver 1.9
Timestamp of this run : 2024-12-11 14:20:55.563
Root process Hostname : pm6-nod059
Poisson Kernel Creation:
Boundary Conditions : Periodic
Memory Requirements per MPI task:
Density (MB) : 76.89
Kernel (MB) : 9.88
Full Grid Arrays (MB) : 76.89
Orbital repartition:
- [ 16, 16, 16, 16, 16, 16, 16, 16, 16]
#Exact exchange calculation:12%; Time (s): Elapsed=10.9079, Remaining=80.
#Exact exchange calculation:34%; Time (s): Elapsed=31.9032, Remaining=62.
#Exact exchange calculation:56%; Time (s): Elapsed=52.9707, Remaining=42.
#Exact exchange calculation:78%; Time (s): Elapsed=74.3495, Remaining=21.
#Exact exchange calculation:100%; Time (s): Elapsed=95.6649, Remaining=0.0
Exact Exchange Energy : 4.24838688894E+18
Expected Exchange Energy : 3.07548491532E+04
Memory Consumption Report:
Tot. No. of Allocations : 10490
Tot. No. of Deallocations : 10490
Remaining Memory (B) : 0
Memory occupation:
Peak Value (MB) : 8935.472
for the array : zt
in the routine : null
Memory Peak of process : 9725.952 MB
Walltime since initialization : 00:01:50.195974046
Max No. of dictionaries used : 583 #( 241 still in use)
Number of dictionary folders allocated: 1
* Info: Dumping samples (host pm6-nod059, process 110602)
* Info: Dumping source info for callchain nodes (host pm6-nod059, process 110602)
* Info: Building/writing metadata (host pm6-nod059)
* Info: Finished collect step (host pm6-nod059, process 110602)
Your experiment path is /home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_gcc14.2.0_nosve/990250/990250.all.maqao.out/tools/lprof_npsu_run_0
To display your profiling results:
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# LEVEL | REPORT | COMMAND #
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# Functions | Cluster-wide | maqao lprof -df xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_gcc14.2.0_nosve/990250/990250.all.maqao.out/tools/lprof_npsu_run_0 #
# Functions | Per-node | maqao lprof -df -dn xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_gcc14.2.0_nosve/990250/990250.all.maqao.out/tools/lprof_npsu_run_0 #
# Functions | Per-process | maqao lprof -df -dp xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_gcc14.2.0_nosve/990250/990250.all.maqao.out/tools/lprof_npsu_run_0 #
# Functions | Per-thread | maqao lprof -df -dt xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_gcc14.2.0_nosve/990250/990250.all.maqao.out/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_gcc14.2.0_nosve/990250/990250.all.maqao.out/tools/lprof_npsu_run_0 #
# Loops | Per-node | maqao lprof -dl -dn xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_gcc14.2.0_nosve/990250/990250.all.maqao.out/tools/lprof_npsu_run_0 #
# Loops | Per-process | maqao lprof -dl -dp xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_gcc14.2.0_nosve/990250/990250.all.maqao.out/tools/lprof_npsu_run_0 #
# Loops | Per-thread | maqao lprof -dl -dt xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_gcc14.2.0_nosve/990250/990250.all.maqao.out/tools/lprof_npsu_run_0 #
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