[pm6-nod059][W: 14/17 L:14/17] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=4 OMP_PLACES={56},{57},{58},{59} /usr/bin/hwloc-bind -l core:56-59.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 4/17 L:4/17] *_VISIBLE_DEVICES=0,1||| OMP_NUM_THREADS=4 OMP_PLACES={16},{17},{18},{19} /usr/bin/hwloc-bind -l core:16-19.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 16/17 L:16/17] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=4 OMP_PLACES={64},{65},{66},{67} /usr/bin/hwloc-bind -l core:64-67.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 1/17 L:1/17] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=4 OMP_PLACES={4},{5},{6},{7} /usr/bin/hwloc-bind -l core:4-7.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 5/17 L:5/17] *_VISIBLE_DEVICES=1||| OMP_NUM_THREADS=4 OMP_PLACES={20},{21},{22},{23} /usr/bin/hwloc-bind -l core:20-23.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 12/17 L:12/17] *_VISIBLE_DEVICES=2||| OMP_NUM_THREADS=4 OMP_PLACES={48},{49},{50},{51} /usr/bin/hwloc-bind -l core:48-51.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 0/17 L:0/17] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=4 OMP_PLACES={0},{1},{2},{3} /usr/bin/hwloc-bind -l core:0-3.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 13/17 L:13/17] *_VISIBLE_DEVICES=2,3||| OMP_NUM_THREADS=4 OMP_PLACES={52},{53},{54},{55} /usr/bin/hwloc-bind -l core:52-55.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 8/17 L:8/17] *_VISIBLE_DEVICES=1||| OMP_NUM_THREADS=4 OMP_PLACES={32},{33},{34},{35} /usr/bin/hwloc-bind -l core:32-35.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 15/17 L:15/17] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=4 OMP_PLACES={60},{61},{62},{63} /usr/bin/hwloc-bind -l core:60-63.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 6/17 L:6/17] *_VISIBLE_DEVICES=1||| OMP_NUM_THREADS=4 OMP_PLACES={24},{25},{26},{27} /usr/bin/hwloc-bind -l core:24-27.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 9/17 L:9/17] *_VISIBLE_DEVICES=2||| OMP_NUM_THREADS=4 OMP_PLACES={36},{37},{38},{39} /usr/bin/hwloc-bind -l core:36-39.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 2/17 L:2/17] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=4 OMP_PLACES={8},{9},{10},{11} /usr/bin/hwloc-bind -l core:8-11.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 11/17 L:11/17] *_VISIBLE_DEVICES=2||| OMP_NUM_THREADS=4 OMP_PLACES={44},{45},{46},{47} /usr/bin/hwloc-bind -l core:44-47.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 3/17 L:3/17] *_VISIBLE_DEVICES=0||| OMP_NUM_THREADS=4 OMP_PLACES={12},{13},{14},{15} /usr/bin/hwloc-bind -l core:12-15.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 7/17 L:7/17] *_VISIBLE_DEVICES=1||| OMP_NUM_THREADS=4 OMP_PLACES={28},{29},{30},{31} /usr/bin/hwloc-bind -l core:28-31.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 17/17 L:17/17] *_VISIBLE_DEVICES=3||| OMP_NUM_THREADS=4 OMP_PLACES={68},{69},{70},{71} /usr/bin/hwloc-bind -l core:68-71.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
[pm6-nod059][W: 10/17 L:10/17] *_VISIBLE_DEVICES=2||| OMP_NUM_THREADS=4 OMP_PLACES={40},{41},{42},{43} /usr/bin/hwloc-bind -l core:40-43.pu:0 -- [mode=default] /software/cepp/Linux/rhel-9.3/aarch64/utilities/maqao/partner/2.20.11/bin/maqao lprof -collect-hwc abs-xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 host=pm6-nod059
* Info: Detected 18 Lprof instances in pm6-nod059.
If this is incorrect, rerun with number-processes-per-node=X
[0m
* Info: "ref-cycles" not supported on pm6-nod059: fallback to "cpu-clock"[0m---
Reference Paper : The Journal of Chemical Physics 137, 134108 (2012)
Version Number : PSolver 1.9
Timestamp of this run : 2024-12-10 17:33:32.471
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=4.8392, Remaining=76.
#Exact exchange calculation:16%; Time (s): Elapsed=13.6305, Remaining=72.
#Exact exchange calculation:27%; Time (s): Elapsed=23.1623, Remaining=63.
#Exact exchange calculation:37%; Time (s): Elapsed=32.8125, Remaining=56.
#Exact exchange calculation:48%; Time (s): Elapsed=43.2047, Remaining=47.
#Exact exchange calculation:58%; Time (s): Elapsed=52.6031, Remaining=38.
#Exact exchange calculation:69%; Time (s): Elapsed=63.2861, Remaining=28.
#Exact exchange calculation:79%; Time (s): Elapsed=72.5672, Remaining=19.
#Exact exchange calculation:90%; Time (s): Elapsed=82.0929, Remaining=9.1
#Exact exchange calculation:100%; Time (s): Elapsed=91.1077, 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 : 5329.344 MB
Walltime since initialization : 00:01:56.869239502
Max No. of dictionaries used : 583 #( 241 still in use)
Number of dictionary folders allocated: 1
Your experiment path is /home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.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_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.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_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.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_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.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_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 #
# Loops | Cluster-wide | maqao lprof -dl xp=/home_nfs/blucidol/src/max/fock/bench/run/grace_aarch64_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.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_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.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_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.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_nvhpc24.9_sve2_128/989962/grace_aarch64_nvhpc24.9_sve2_128.maqao.out/tools/lprof_npsu_run_0 #
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