Simulation 'Fluo_Diff' (Fluo_Diff.instr): running on 4 nodes (master is 're-grades-02', MPI version 3.1).
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
[Fluo_Diff] Initialize
Fluo_Diff: Energy 16.99 [keV] [Fluo_Diff] Initialize
 
 
 
./Fluo_Diff.c: INFO: Converting /var/www/html/data/diffraction/La2CuO4.cif-farhie-20230928-151008/La2CuO4.cif into F2(HKL) list /tmp/fileB1jbTt
cif2hkl -o /tmp/fileB1jbTt --mode XRA /var/www/html/data/diffraction/La2CuO4.cif-farhie-20230928-151008/La2CuO4.cif
 
Table from file '/tmp/fileB1jbTt' (block 1) is 25710 x 6 (x=-15:15), constant step. interpolation: linear
  '# TITLE  La1 La1 La1 La1 Cu1 Cu1 O1 O1 O1 O1 O1 O1 O1 O1 [Triclinic, Acentr ...'
PowderN: Sample: Reading 25710 rows from /var/www/html/data/diffraction/La2CuO4.cif-farhie-20230928-151008/La2CuO4.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 25710 structure factors in file '/var/www/html/data/diffraction/La2CuO4.cif-farhie-20230928-151008/La2CuO4.cif' are null. Check the reflection list.
PowderN: Sample: reflection file /var/www/html/data/diffraction/La2CuO4.cif-farhie-20230928-151008/La2CuO4.cif is not valid.
ERROR    Please check file format.
PowderN: Sample: reflection file /var/www/html/data/diffraction/La2CuO4.cif-farhie-20230928-151008/La2CuO4.cif is not valid.
ERROR    Please check file format.
PowderN: Sample: reflection file /var/www/html/data/diffraction/La2CuO4.cif-farhie-20230928-151008/La2CuO4.cif is not valid.
ERROR    Please check file format.
PowderN: Sample: reflection file /var/www/html/data/diffraction/La2CuO4.cif-farhie-20230928-151008/La2CuO4.cif is not valid.
ERROR    Please check file format.
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Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
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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: [[57200,1],2]
  Exit code:    160
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