INFO: Using directory: "3" INFO: Using existing c-file: ./Test_PowderN.c INFO: Using existing binary: ./Test_PowderN.out WARNING: Ignoring invalid parameter: "Test_PowderN.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-62-29-12 Local adapter: mlx4_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: n-62-29-12 Local device: mlx4_0 -------------------------------------------------------------------------- Simulation 'Test_PowderN' (/zhome/89/0/38697/xTESTS/2022-03-01/McXtrace-1.x_CPU_MPICC_5e7/Test_PowderN/Test_PowderN.instr): running on 10 nodes (master is 'n-62-29-34', MPI version 3.1). [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) PowderN: Pow Error reading material data from file . Table from file 'LaB6_660b_AVID2.hkl' (block 1) is 1453 x 6 (x=1:23), constant step. interpolation: linear '# TITLE La1 B6 [Cubic, Centric (-1 at origin)];# a b ...' PowderN: Pow: Reading 1453 rows from LaB6_660b_AVID2.hkl PowderN: Pow: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high. PowderN: Pow Error reading material data from file . PowderN: Pow: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' PowderN: Pow: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('') nor defined sigma_inc! PowderN: Pow Error reading material data from file . [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . PowderN: Pow Error reading material data from file . [Test_PowderN] Initialize PowderN: Pow Error reading material data from file . [Test_PowderN] Initialize PowderN: Pow Error reading material data from file . Finally [Test_PowderN: 3]. Time: 2 [s] Warning: 257175 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 3]. Time: 2 [s] Warning: 257987 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 3]. Time: 2 [s] Warning: 258607 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 3]. Time: 2 [s] Warning: 259258 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 3]. Time: 2 [s] Warning: 257718 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Save [Test_PowderN] Finally [Test_PowderN: 3]. Time: 2 [s] Warning: 257896 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: Sph_mon_I=6.56813e-13 Sph_mon_ERR=1.00492e-15 Sph_mon_N=4.49905e+06 "Sphere.dat" Finally [Test_PowderN: 3]. Time: 2 [s] Warning: 258219 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 3]. Time: 2 [s] Warning: 257958 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [Test_PowderN: 3]. Time: 2 [s] Warning: 257133 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: detector2_I=0 detector2_ERR=0 detector2_N=900 "psd2.dat" Finally [Test_PowderN: 3]. Time: 2 [s] PowderN: Pow: Info: you may highly improve the computation efficiency by using SPLIT 144 COMPONENT Pow=PowderN(...) in the instrument description /zhome/89/0/38697/xTESTS/2022-03-01/McXtrace-1.x_CPU_MPICC_5e7/Test_PowderN/Test_PowderN.instr. Warning: 257558 events were removed in Component[7] detector2=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). [n-62-29-34:18315] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-29-34:18315] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-29-34:18315] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-03-01/McXtrace-1.x_CPU_MPICC_5e7/Test_PowderN/Test_PowderN.instr in dataset 3 loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace-1.x_CPU_MPICC/mccode_config.json