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: Energy 16.99 [keV] [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
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif

# McXtrace 3.2 - Jul. 06, 2023: [pid 671006] Signal 11 detected [proc 22] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)

# McXtrace 3.2 - Jul. 06, 2023: [pid 670975] Signal 11 detected [proc 10] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory

# McXtrace 3.2 - Jul. 06, 2023: [pid 671043] Signal 11 detected [proc 30] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025

# McXtrace 3.2 - Jul. 06, 2023: [pid 670957] Signal 11 detected [proc 2] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Last I/O Error: No such file or directory
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory

# McXtrace 3.2 - Jul. 06, 2023: [pid 670999] Signal 11 detected [proc 20] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory

# McXtrace 3.2 - Jul. 06, 2023: [pid 670987] Signal 11 detected [proc 16] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025

# McXtrace 3.2 - Jul. 06, 2023: [pid 670983] Signal 11 detected [proc 14] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).

# McXtrace 3.2 - Jul. 06, 2023: [pid 670991] Signal 11 detected [proc 18] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Last I/O Error: No such file or directory
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory

# McXtrace 3.2 - Jul. 06, 2023: [pid 670959] Signal 11 detected [proc 4] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)

# McXtrace 3.2 - Jul. 06, 2023: [pid 670978] Signal 11 detected [proc 12] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory

# McXtrace 3.2 - Jul. 06, 2023: [pid 671024] Signal 11 detected [proc 28] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)

# McXtrace 3.2 - Jul. 06, 2023: [pid 671018] Signal 11 detected [proc 26] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)

# McXtrace 3.2 - Jul. 06, 2023: [pid 670971] Signal 11 detected [proc 6] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif

# McXtrace 3.2 - Jul. 06, 2023: [pid 670956] Signal 11 detected [proc 1] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif

# McXtrace 3.2 - Jul. 06, 2023: [pid 671013] Signal 11 detected [proc 24] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# Last I/O Error: No such file or directory
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 WARNING: cif2hkl: Invalid element o-2  -> O in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif

# McXtrace 3.2 - Jul. 06, 2023: [pid 670974] Signal 11 detected [proc 8] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif

# McXtrace 3.2 - Jul. 06, 2023: [pid 670980] Signal 11 detected [proc 13] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif

# McXtrace 3.2 - Jul. 06, 2023: [pid 670990] Signal 11 detected [proc 17] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# Last I/O Error: No such file or directory
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).

# McXtrace 3.2 - Jul. 06, 2023: [pid 671014] Signal 11 detected [proc 25] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# Last I/O Error: No such file or directory
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).

# McXtrace 3.2 - Jul. 06, 2023: [pid 671044] Signal 11 detected [proc 31] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory

# McXtrace 3.2 - Jul. 06, 2023: [pid 670955] Signal 11 detected [proc 0] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory

# McXtrace 3.2 - Jul. 06, 2023: [pid 671009] Signal 11 detected [proc 23] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory

# McXtrace 3.2 - Jul. 06, 2023: [pid 671021] Signal 11 detected [proc 27] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory

# McXtrace 3.2 - Jul. 06, 2023: [pid 670985] Signal 11 detected [proc 15] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)

# McXtrace 3.2 - Jul. 06, 2023: [pid 670976] Signal 11 detected [proc 11] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).

# McXtrace 3.2 - Jul. 06, 2023: [pid 670996] Signal 11 detected [proc 19] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)

# McXtrace 3.2 - Jul. 06, 2023: [pid 671042] Signal 11 detected [proc 29] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).

# McXtrace 3.2 - Jul. 06, 2023: [pid 670973] Signal 11 detected [proc 9] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).

# McXtrace 3.2 - Jul. 06, 2023: [pid 670972] Signal 11 detected [proc 7] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).

# McXtrace 3.2 - Jul. 06, 2023: [pid 670958] Signal 11 detected [proc 3] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory
--------------------------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code. Per user-direction, the job has been aborted.
--------------------------------------------------------------------------

# McXtrace 3.2 - Jul. 06, 2023: [pid 670970] Signal 11 detected [proc 5] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
 ERROR: cif2hkl: The Species o    was not found in /var/www/html/data/diffraction/1010928.cif-farhie-20250513-122553/1010928.cif

# McXtrace 3.2 - Jul. 06, 2023: [pid 671003] Signal 11 detected [proc 21] SIGSEGV (Mem Error)
# Simulation: Fluo_Diff (Fluo_Diff.instr) 
# Breakpoint: [_Sample_init] component Sample=PowderN() INITIALISE [/usr/share/mcxtrace/3.2/tools/Python/mxrun/../mccodelib/../../../samples/PowderN.comp:684] 0.00 % (       0.0/10000000.0)
# Date:      Tue May 13 12:25:54 2025
# Started:   Tue May 13 12:25:54 2025
# McXtrace 3.2 - Jul. 06, 2023: Simulation stop (abort).
# Last I/O Error: No such file or directory
# Last I/O Error: No such file or directory
--------------------------------------------------------------------------
mpirun noticed that process rank 20 with PID 0 on node re-grades-02 exited on signal 3 (Quit).
--------------------------------------------------------------------------