INFO: Using directory: "1" INFO: Using existing c-file: ./Pump_probe.c INFO: Using existing binary: ./Pump_probe.out WARNING: Ignoring invalid parameter: "Pump_probe.instr" INFO: === INFO: Using system default number of mpirun -np processes -------------------------------------------------------------------------- By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default. The intent is to use UCX for these devices. You can override this policy by setting the btl_openib_allow_ib MCA parameter to true. Local host: n-62-11-62 Local adapter: mlx5_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: n-62-11-62 Local device: mlx5_0 -------------------------------------------------------------------------- Simulation 'Pump_probe' (/zhome/89/0/38697/xTESTS/2022-06-01/McXtrace_CPU_MPICC_KISS_5e7/Pump_probe/Pump_probe.instr): running on 10 nodes (master is 'n-62-11-62', MPI version 3.1). [Pump_probe] Initialize Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Fe_bpy_GS_DFT.txt' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Fe_bpy_ES_DFT.txt' (Table_Read_Offset) [Pump_probe] Initialize [Pump_probe] Initialize sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: [Pump_probe] Initialize [Pump_probe] Initialize sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: [Pump_probe] Initialize sample: Computing F2(q) for two states: [Pump_probe] Initialize sample: Computing F2(q) for two states: Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 0= 35905.3, Mu_s=2.85116e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 [n-62-11-62:05084] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-11-62:05084] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-11-62:05084] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init *** TRACE end *** Save [Pump_probe] Detector: emon_src_I=7.95775e-12 emon_src_ERR=1.1254e-15 emon_src_N=5e+07 "emon_src.dat" Detector: lmon_src_I=7.95775e-12 lmon_src_ERR=1.1254e-15 lmon_src_N=5e+07 "lmon_src.dat" Detector: psd4pi_I=1.71352e-28 psd4pi_ERR=7.7509e-32 psd4pi_N=4.08175e+07 "4pi.dat" Detector: bananapsd_I=1.70373e-28 bananapsd_ERR=7.74894e-32 bananapsd_N=4.04677e+07 "bananapsd.th" Detector: 1dpsd_I=1.70668e-28 1dpsd_ERR=7.74953e-32 1dpsd_N=4.05744e+07 "linepsd.dat" Finally [Pump_probe: 1]. Time: 10 [s] Finally [Pump_probe: 1]. Time: 10 [s] Finally [Pump_probe: 1]. Time: 10 [s] Finally [Pump_probe: 1]. Time: 10 [s] Finally [Pump_probe: 1]. Time: 10 [s] Finally [Pump_probe: 1]. Time: 10 [s] Finally [Pump_probe: 1]. Time: 10 [s] Finally [Pump_probe: 1]. Time: 10 [s] Finally [Pump_probe: 1]. Time: 10 [s] Finally [Pump_probe: 1]. Time: 10 [s] INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-06-01/McXtrace_CPU_MPICC_KISS_5e7/Pump_probe/Pump_probe.instr in dataset 1 loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_CPU_MPICC_KISS/mccode_config.json