Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 32 nodes (master is 're-grades-02', MPI version 3.1). [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize Fluo_Diff: Energy 16.99 [keV] [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize [Fluo_Diff] Initialize ./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif into F2(HKL) list /tmp/fileRcgBxt cif2hkl -o /tmp/fileRcgBxt --mode XRA /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif Opening input file '/tmp/fileRcgBxt' (Table_Read_Offset) Table from file '/tmp/fileRcgBxt' (block 1) is 10872 x 6 (x=0:81), constant step. interpolation: linear '# TITLE La8 La4 Ni8 O8 O8 O8 O4 [Orthorhombic, Centric (-1 at origin)];# ...' PowderN: Sample: Reading 10872 rows from /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif PowderN: Sample: 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: Sample: ERROR: all 10872 structure factors in file '/var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif' are null. Check the reflection list. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. -------------------------------------------------------------------------- Primary job terminated normally, but 1 process returned a non-zero exit code. Per user-direction, the job has been aborted. -------------------------------------------------------------------------- PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. PowderN: Sample: reflection file /var/www/html/data/diffraction/La3Ni2O7.cif-farhie-20231117-103914/La3Ni2O7.cif is not valid. ERROR Please check file format. -------------------------------------------------------------------------- mpirun detected that one or more processes exited with non-zero status, thus causing the job to be terminated. The first process to do so was: Process name: [[38848,1],3] Exit code: 162 --------------------------------------------------------------------------