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r0r1r2
external_libraries{ 1 = /home/eoseret/GROMACS/install/gplusplus/lib/libgromacs_mpi.so.7 ; },
{ 1 = /home/eoseret/GROMACS/build/icc/lib/libgromacs_mpi.so.7.0.0 ; },
{ 1 = /home/eoseret/GROMACS/install/icx/lib/libgromacs_mpi.so.7 ; },
number_processes111
number_nodes111
number_processes_per_node111
mpi_commandmpirun -n <number_processes> --bind-to nonempirun -n <number_processes>mpirun -n <number_processes>
run_command<executable> mdrun -s ion_channel.tpr -nsteps 10000 -pin on -deffnm g++<executable> mdrun -s ion_channel.tpr -nsteps 10000 -deffnm icc<executable> mdrun -s ion_channel.tpr -nsteps 10000 -deffnm icx
batch_script
batch_command
pinning_command
custom_categories{ { type = library ; value = libgromacs_mpi.so.7 ; },
},
{ { type = library ; value = libgromacs_mpi.so.7.0.0 ; },
},
{ { type = library ; value = libgromacs_mpi.so.7 ; },
},
dataset/home/eoseret/GROMACS/DATA/GROMACS_TestCaseA/home/eoseret/GROMACS/DATA/GROMACS_TestCaseA/home/eoseret/GROMACS/DATA/GROMACS_TestCaseA
dataset_handlerlinklinklink
run_directory<dataset><dataset><dataset>
frequencies{ 1 = 0 ; },
{ 1 = 0 ; },
{ 1 = 0 ; },
filter{ type = number ; nvprof = 1 ; ndecan = 1 ; },
{ type = number ; nvprof = 1 ; ndecan = 1 ; },
{ type = number ; nvprof = 1 ; ndecan = 1 ; },
profile_start{ unit = none ; value = 0 ; },
{ unit = none ; value = 0 ; },
{ unit = none ; value = 0 ; },
additional_hwc{ },
{ },
{ },
excluded_areas{ },
{ },
{ },
decan_multi_varianttruetruetrue
decan_all_variantstruetruetrue
maximal_path_number444
included_areas{ },
{ },
{ },
is_sudo_availablefalsefalsefalse
keep_executable_locationtruetruetrue
lprof_params
lprof_post_process_params{ },
{ },
{ },
vprof_params
decan_params
cqa_params{ },
{ },
{ },
multiruns_params{ },
{ },
{ },
scalability_referencemainmainmain
environment_variables{ { name = OMP_NUM_THREADS ; value = 52 ; },
},
{ { name = OMP_NUM_THREADS ; value = 52 ; },
},
{ { name = OMP_NUM_THREADS ; value = 52 ; },
},
script_variables{ },
{ },
{ },
thread_filter_threshold2%2%2%
object_coverage_threshold0.010.010.01
_is_loadedOV1_skx_gplusplus_OMP52/shared/run_0/config.luaOV1_skx_icc_OMP52/shared/run_0/config.luaOV1_skx_icx_OMP52/shared/run_0/config.lua
delay000
basebinarygmx_mpigmx_mpigmx_mpi
is_all_external_libraries_in_ccfalsefalsefalse
_scalability_bins{ },
{ },
{ },
ranges_count202020
#__scalability_referencetruetruetrue
repetitions313131
base_run_index0
__profile_starttruetruetrue
decan_threshold500500500
__maximal_path_numbertruetruetrue
outliers_count000
use_emonfalsefalsefalse
job_submission_threshold0s0s0s
__filtertruetruetrue
base_run_name1x521x521x52
bucket_threshold111
filter_decan{ type = all ; },
{ type = all ; },
{ type = all ; },
binary/home/eoseret/GROMACS/install/gplusplus/bin/gmx_mpi/home/eoseret/GROMACS/build/icc/bin/gmx_mpi/home/eoseret/GROMACS/install/icx/bin/gmx_mpi
commentsGROMACS 2022.4 compiled with g++ 13.1.1 running on Skylake with 52 OMP threads, 10000 stepsGROMACS 2022.4 compiled with icc 2021.8 running on Skylake with 52 OMP threads, 10000 stepsGROMACS 2022.4 compiled with icx 2023.0.0 running on Skylake with 52 OMP threads, 10000 steps
localbinary/home/eoseret/GROMACS/install/gplusplus/bin/gmx_mpi/home/eoseret/GROMACS/build/icc/bin/gmx_mpi/home/eoseret/GROMACS/install/icx/bin/gmx_mpi
pinned_core
_is_custom_categoriestruetruetrue
hwc_reporting_cores111