* Info: "ref-cycles" not supported on pm6-nod059: fallback to "cpu-clock"[pm6-nod059][W: 0/17 L:0/17] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=4 OMP_PLACES={144},{145},{146},{147} /usr/bin/hwloc-bind -l core:0-3.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 4/17 L:4/17] *_VISIBLE_DEVICES=0,1||| OMP_NUM_THREADS=4 OMP_PLACES={160},{161},{162},{163} /usr/bin/hwloc-bind -l core:16-19.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 7/17 L:7/17] *_VISIBLE_DEVICES=1||| OMP_NUM_THREADS=4 OMP_PLACES={172},{173},{174},{175} /usr/bin/hwloc-bind -l core:28-31.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 1/17 L:1/17] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=4 OMP_PLACES={148},{149},{150},{151} /usr/bin/hwloc-bind -l core:4-7.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 17/17 L:17/17] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=4 OMP_PLACES={212},{213},{214},{215} /usr/bin/hwloc-bind -l core:68-71.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 9/17 L:9/17] *_VISIBLE_DEVICES=2||| OMP_NUM_THREADS=4 OMP_PLACES={180},{181},{182},{183} /usr/bin/hwloc-bind -l core:36-39.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 10/17 L:10/17] *_VISIBLE_DEVICES=2||| OMP_NUM_THREADS=4 OMP_PLACES={184},{185},{186},{187} /usr/bin/hwloc-bind -l core:40-43.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 13/17 L:13/17] *_VISIBLE_DEVICES=2,3||| OMP_NUM_THREADS=4 OMP_PLACES={196},{197},{198},{199} /usr/bin/hwloc-bind -l core:52-55.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 11/17 L:11/17] *_VISIBLE_DEVICES=2||| OMP_NUM_THREADS=4 OMP_PLACES={188},{189},{190},{191} /usr/bin/hwloc-bind -l core:44-47.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 6/17 L:6/17] *_VISIBLE_DEVICES=1||| OMP_NUM_THREADS=4 OMP_PLACES={168},{169},{170},{171} /usr/bin/hwloc-bind -l core:24-27.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 12/17 L:12/17] *_VISIBLE_DEVICES=2||| OMP_NUM_THREADS=4 OMP_PLACES={192},{193},{194},{195} /usr/bin/hwloc-bind -l core:48-51.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 3/17 L:3/17] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=4 OMP_PLACES={156},{157},{158},{159} /usr/bin/hwloc-bind -l core:12-15.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 8/17 L:8/17] *_VISIBLE_DEVICES=1||| OMP_NUM_THREADS=4 OMP_PLACES={176},{177},{178},{179} /usr/bin/hwloc-bind -l core:32-35.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 14/17 L:14/17] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=4 OMP_PLACES={200},{201},{202},{203} /usr/bin/hwloc-bind -l core:56-59.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 15/17 L:15/17] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=4 OMP_PLACES={204},{205},{206},{207} /usr/bin/hwloc-bind -l core:60-63.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 16/17 L:16/17] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=4 OMP_PLACES={208},{209},{210},{211} /usr/bin/hwloc-bind -l core:64-67.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 5/17 L:5/17] *_VISIBLE_DEVICES=1||| OMP_NUM_THREADS=4 OMP_PLACES={164},{165},{166},{167} /usr/bin/hwloc-bind -l core:20-23.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_nosve/psolver/tests/Fock -g P -n 216 -o 144 -a No
[pm6-nod059][W: 2/17 L:2/17] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=4 OMP_PLACES={152},{153},{154},{155} /usr/bin/hwloc-bind -l core:8-11.pu:0 -- [mode=default] /home_nfs/blucidol/src/max/bigdft/bigdft-suite/build_grace_aarch64_acfl24.04_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 14:18:31.611
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:
- [ 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8, 8]
#Exact exchange calculation:6%; Time (s): Elapsed=4.7786, Remaining=75.
#Exact exchange calculation:16%; Time (s): Elapsed=13.5422, Remaining=71.
#Exact exchange calculation:27%; Time (s): Elapsed=22.3677, Remaining=60.
#Exact exchange calculation:37%; Time (s): Elapsed=31.3369, Remaining=53.
#Exact exchange calculation:48%; Time (s): Elapsed=40.4349, Remaining=44.
#Exact exchange calculation:58%; Time (s): Elapsed=49.4083, Remaining=36.
#Exact exchange calculation:69%; Time (s): Elapsed=58.3412, Remaining=26.
#Exact exchange calculation:79%; Time (s): Elapsed=67.4444, Remaining=18.
#Exact exchange calculation:90%; Time (s): Elapsed=76.3926, Remaining=8.5
#Exact exchange calculation:100%; Time (s): Elapsed=84.1604, Remaining=0.0
Exact Exchange Energy : 4.24838688894E+18
Expected Exchange Energy : 3.07548491532E+04
Memory Consumption Report:
Tot. No. of Allocations : 5573
Tot. No. of Deallocations : 5573
Remaining Memory (B) : 0
Memory occupation:
Peak Value (MB) : 4626.817
for the array : zt
in the routine : null
Memory Peak of process : 5321.728 MB
Walltime since initialization : 00:02:18.141096040
Max No. of dictionaries used : 583 #( 241 still in use)
Number of dictionary folders allocated: 1
* Info: Callchains info will be incomplete
* Info: Try to recompile your application with -fno-omit-frame-pointer or to rerun with btm=stack
* Info: Dumping samples (host pm6-nod059, process 94756)
* Info: Dumping source info for callchain nodes (host pm6-nod059, process 94756)
* Info: Building/writing metadata (host pm6-nod059)
* Info: Finished collect step (host pm6-nod059, process 94756)
Your experiment path is /home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_acfl24.04_nosve/990248/990248.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_acfl24.04_nosve/990248/990248.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_acfl24.04_nosve/990248/990248.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_acfl24.04_nosve/990248/990248.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_acfl24.04_nosve/990248/990248.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_acfl24.04_nosve/990248/990248.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_acfl24.04_nosve/990248/990248.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_acfl24.04_nosve/990248/990248.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_acfl24.04_nosve/990248/990248.all.maqao.out/tools/lprof_npsu_run_0 #
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