| 1x1 | 2x1 | 4x1 | 8x1 | 16x1 | 32x1 | 52x1 | |
|---|---|---|---|---|---|---|---|
| external_libraries | { }, | { }, | { }, | { }, | { }, | { }, | { }, |
| number_processes | 1 | 2 | 4 | 8 | 16 | 32 | 52 |
| number_nodes | 1 | 1 | 1 | 1 | 1 | 1 | 1 |
| number_processes_per_node | 1 | 2 | 4 | 8 | 16 | 32 | 52 |
| mpi_command | mpirun -n <number_processes> | mpirun -n <number_processes> | mpirun -n <number_processes> | mpirun -n <number_processes> | mpirun -n <number_processes> | mpirun -n <number_processes> | mpirun -n <number_processes> |
| run_command | <executable> -i mol22_s1.inp | <executable> -i mol22_s1.inp | <executable> -i mol22_s1.inp | <executable> -i mol22_s1.inp | <executable> -i mol22_s1.inp | <executable> -i mol22_s1.inp | <executable> -i mol22_s1.inp |
| batch_script | |||||||
| batch_command | |||||||
| pinning_command | |||||||
| custom_categories | { }, | { }, | { }, | { }, | { }, | { }, | { }, |
| dataset | |||||||
| dataset_handler | link | link | link | link | link | link | link |
| run_directory | /tmp/cp2k_svp | /tmp/cp2k_svp | /tmp/cp2k_svp | /tmp/cp2k_svp | /tmp/cp2k_svp | /tmp/cp2k_svp | /tmp/cp2k_svp |
| frequencies | { 1 = 0 ; }, | { 1 = 0 ; }, | { 1 = 0 ; }, | { 1 = 0 ; }, | { 1 = 0 ; }, | { 1 = 0 ; }, | { 1 = 0 ; }, |
| filter | { type = number ; value = 10 ; }, | { type = number ; value = 10 ; }, | { type = number ; value = 10 ; }, | { type = number ; value = 10 ; }, | { type = number ; value = 10 ; }, | { type = number ; value = 10 ; }, | { type = number ; value = 10 ; }, |
| profile_start | { unit = none ; value = 0 ; }, | { unit = none ; value = 0 ; }, | { unit = none ; value = 0 ; }, | { unit = none ; value = 0 ; }, | { unit = none ; value = 0 ; }, | { unit = none ; value = 0 ; }, | { unit = none ; value = 0 ; }, |
| additional_hwc | { }, | { }, | { }, | { }, | { }, | { }, | { }, |
| excluded_areas | { }, | { }, | { }, | { }, | { }, | { }, | { }, |
| decan_multi_variant | true | true | true | true | true | true | true |
| decan_all_variants | true | true | true | true | true | true | true |
| maximal_path_number | 4 | 4 | 4 | 4 | 4 | 4 | 4 |
| included_areas | { }, | { }, | { }, | { }, | { }, | { }, | { }, |
| is_sudo_available | false | false | false | false | false | false | false |
| keep_executable_location | false | false | false | false | false | false | false |
| lprof_params | |||||||
| lprof_post_process_params | { }, | { }, | { }, | { }, | { }, | { }, | { }, |
| vprof_params | |||||||
| decan_params | |||||||
| cqa_params | { }, | { }, | { }, | { }, | { }, | { }, | { }, |
| multiruns_params | { { number_processes = 2 ; binary = /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp ; number_processes_per_node = 2 ; __number_processes_per_node = 2 ; name = 2x1 ; environment_variables = { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 2 ; }, { number_processes = 4 ; binary = /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp ; number_processes_per_node = 4 ; __number_processes_per_node = 4 ; name = 4x1 ; environment_variables = { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 4 ; }, { number_processes = 8 ; binary = /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp ; number_processes_per_node = 8 ; __number_processes_per_node = 8 ; name = 8x1 ; environment_variables = { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 8 ; }, { number_processes = 16 ; binary = /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp ; number_processes_per_node = 16 ; __number_processes_per_node = 16 ; name = 16x1 ; environment_variables = { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 16 ; }, { number_processes = 32 ; binary = /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp ; number_processes_per_node = 32 ; __number_processes_per_node = 32 ; name = 32x1 ; environment_variables = { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 32 ; }, { number_processes = 52 ; binary = /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp ; number_processes_per_node = 52 ; __number_processes_per_node = 52 ; name = 52x1 ; environment_variables = { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, __number_processes = 52 ; }, }, | { }, | { }, | { }, | { }, | { }, | { }, |
| scalability_reference | main | main | main | main | main | main | main |
| environment_variables | { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, | { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, | { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, | { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, | { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, | { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, | { { name = I_MPI_PIN_PROCESSOR_LIST ; value = allcores:map=scatter ; }, { name = OMP_NUM_THREADS ; value = 1 ; }, }, |
| script_variables | { }, | { }, | { }, | { }, | { }, | { }, | { }, |
| thread_filter_threshold | 2% | 2% | 2% | 2% | 2% | 2% | 2% |
| object_coverage_threshold | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 |
| _scalability_bins | { }, | { }, | { }, | { }, | { }, | { }, | { }, |
| basebinary | cp2k.psmp | cp2k.psmp | cp2k.psmp | cp2k.psmp | cp2k.psmp | cp2k.psmp | cp2k.psmp |
| is_all_external_libraries_in_cc | false | false | false | false | false | false | false |
| _is_loaded | /scratch/eoseret/cp2k-2023.1/benchmarks/sample_mol22/no_kpoints/svp/OV1_WS_skx_nokp_svp/shared/run_0/config.lua | /scratch/eoseret/cp2k-2023.1/benchmarks/sample_mol22/no_kpoints/svp/OV1_WS_skx_nokp_svp/shared/run_1/config.lua | /scratch/eoseret/cp2k-2023.1/benchmarks/sample_mol22/no_kpoints/svp/OV1_WS_skx_nokp_svp/shared/run_2/config.lua | /scratch/eoseret/cp2k-2023.1/benchmarks/sample_mol22/no_kpoints/svp/OV1_WS_skx_nokp_svp/shared/run_3/config.lua | /scratch/eoseret/cp2k-2023.1/benchmarks/sample_mol22/no_kpoints/svp/OV1_WS_skx_nokp_svp/shared/run_4/config.lua | /scratch/eoseret/cp2k-2023.1/benchmarks/sample_mol22/no_kpoints/svp/OV1_WS_skx_nokp_svp/shared/run_5/config.lua | /scratch/eoseret/cp2k-2023.1/benchmarks/sample_mol22/no_kpoints/svp/OV1_WS_skx_nokp_svp/shared/run_6/config.lua |
| ranges_count | 20 | 20 | 20 | 20 | 20 | 20 | 20 |
| #__scalability_reference | true | true | true | true | true | true | true |
| delay | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| repetitions | 31 | 31 | 31 | 31 | 31 | 31 | 31 |
| base_run_index | 0 | ||||||
| __filter | true | true | true | true | true | true | true |
| __profile_start | true | true | true | true | true | true | true |
| decan_threshold | 500 | 500 | 500 | 500 | 500 | 500 | 500 |
| outliers_count | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| use_emon | false | false | false | false | false | false | false |
| job_submission_threshold | 0s | 0s | 0s | 0s | 0s | 0s | 0s |
| base_run_name | 1x1 | 2x1 | 4x1 | 8x1 | 16x1 | 32x1 | 52x1 |
| __maximal_path_number | true | true | true | true | true | true | true |
| bucket_threshold | 1 | 1 | 1 | 1 | 1 | 1 | 1 |
| binary | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp |
| comments | ECR skylake, cp2k Intel ifort/MKL/MPI 2023.0, 1-52 MPI ranks, OMP_NUM_THREADS=1, (SVP / no kpoints) dataset | ECR skylake, cp2k Intel ifort/MKL/MPI 2023.0, 1-52 MPI ranks, OMP_NUM_THREADS=1, (SVP / no kpoints) dataset | ECR skylake, cp2k Intel ifort/MKL/MPI 2023.0, 1-52 MPI ranks, OMP_NUM_THREADS=1, (SVP / no kpoints) dataset | ECR skylake, cp2k Intel ifort/MKL/MPI 2023.0, 1-52 MPI ranks, OMP_NUM_THREADS=1, (SVP / no kpoints) dataset | ECR skylake, cp2k Intel ifort/MKL/MPI 2023.0, 1-52 MPI ranks, OMP_NUM_THREADS=1, (SVP / no kpoints) dataset | ECR skylake, cp2k Intel ifort/MKL/MPI 2023.0, 1-52 MPI ranks, OMP_NUM_THREADS=1, (SVP / no kpoints) dataset | ECR skylake, cp2k Intel ifort/MKL/MPI 2023.0, 1-52 MPI ranks, OMP_NUM_THREADS=1, (SVP / no kpoints) dataset |
| filter_decan | { type = all ; }, | { type = all ; }, | { type = all ; }, | { type = all ; }, | { type = all ; }, | { type = all ; }, | { type = all ; }, |
| hwc_reporting_cores | 1 | 1 | 1 | 1 | 1 | 1 | 1 |
| localbinary | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp | /scratch/eoseret/cp2k-2023.1/exe/Linux-intel-x86_64-minimal/cp2k.psmp |
| pinned_core |