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: === Simulation 'Pump_probe' (/zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-1.6.1_CPU_MPICC_1e7/Pump_probe/Pump_probe.instr): running on 12 nodes (master is 'n-62-31-9', MPI version 3.1). [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize [Pump_probe] Initialize Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/Fe_bpy_ES_DFT.txt' (Table_Read_Offset) sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: sample: Computing F2(q) for two states: 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 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 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 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Integrated f2 for state 1= 34652.4, Mu_s=2.75167e-05 Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) *** TRACE end *** Save [Pump_probe] Detector: emon_src_I=7.95774e-12 emon_src_ERR=2.51646e-15 emon_src_N=1e+07 "emon_src.dat" Detector: lmon_src_I=7.95774e-12 lmon_src_ERR=2.51646e-15 lmon_src_N=1e+07 "lmon_src.dat" Detector: psd4pi_I=1.71154e-28 psd4pi_ERR=1.73113e-31 psd4pi_N=8.16347e+06 "4pi.dat" Detector: bananapsd_I=1.70178e-28 bananapsd_ERR=1.73069e-31 bananapsd_N=8.09374e+06 "bananapsd.th" Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Finally [Pump_probe: 1]. Time: 2 [s] Detector: 1dpsd_I=1.70471e-28 1dpsd_ERR=1.73082e-31 1dpsd_N=8.11499e+06 "linepsd.dat" Finally [Pump_probe: 1]. Time: 2 [s] INFO: Placing instr file copy /zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-1.6.1_CPU_MPICC_1e7/Pump_probe/Pump_probe.instr in dataset 1 loading system configuration loading override configuration from /zhome/7c/9/7041/McXtrace/mcxtrace/1.5/tools/Python/mctest/../mccodelib/mcxtrace-test/McXtrace-1.6.1_CPU_MPICC/mccode_config.json