Exception Caught

nsajjad

Hi,

I have an issue with indexing in TOPAS4. I created an index.inp file a while a go and it ran fine and I obtained results. However I've now re ran the exact same inp file and I keep getting an exception caught error in TOPAS. I've restarted TOPAS and rebooted my computer I've been trying run this file for the past 3 days but I'm faced with same exception caught error. I've pasted the inp file below, please can someone advise on how I can fix this issue?

Thank you
Nazesh

'=========================================================
'INDEXING INPUT FILE - Contains information for Topas on indexing
'=========================================================
seed
index_zero_error 'Includes a zero error in the indexing routine

Bravais_Cubic_sgs
Bravais_Trigonal_Hexagonal_sgs
Bravais_Tetragonal_sgs
Bravais_Orthorhombic_sgs
Bravais_Monoclinic_sgs

index_lam 0.827121 'Radiation wavelength

load index_th2 index_I {
5.8103998 1.79456128
7.14006795 3.80053597
7.50872447 9.83167319
8.00087358 5.54833084
8.13037537 10.8128057
8.54054642 22.2043363
8.76484945 0.61682218
9.08244793 6.40899176
9.18419221 2.07790716
9.69636781 0.94406375
9.95232612 0.47788418
10.7342095 1.91258556
11.076626 8.30191494
11.6122421 0.62020899
11.6638913 2.24725525
12.81273 2.91130614
13.0319407 9.20896982
13.127822 2.4618746
13.4001786 5.61086708
13.4513259 9.43238389
13.5987022 9.36437421
14.2447575 7.73936064
14.3507385 21.4928583
14.4953038 6.74838587
14.9075617 1.79291109
15.0359965 2.15581495
15.1937528 2.68170571
15.2806221 2.68304322
15.4589973 54.6056323
15.5990515 63.1741443
15.7456567 15.0728721
15.9235353 2.00929426
16.0522015 8.90917967
16.3050729 27.2071079
16.4366965 20.4326196
}

alancoelho

Hi Nazesh

II just checked and V4.1 does throw and error. The error is related to the use of index_zero_error and I am not sure why; not using index_zero_error works but of course a zero error is important.

V5 and V6 does not throw an error. I cant debug V4.1 any more as it wont compile on the latest compilers. Send me an e-mail and I will send the NDX file produced from V6.

cheers
alan

nsajjad

Hi Alan,

Thank you for getting back to me, my e-mail is nsajjad@uclan.ac.uk. I'm currently working on my PhD which involves the structure determination of microporous materials subjected to high-temperature, as you can imagine I have many patterns that require indexing and I'm limited to TOPAS V4. Is there an alternative to the index_zero_error macro, could I possibly write another macro which will include zero error and work with TOPAS V4.

I'm aware you're unable to debug and therefore can't tell me exactly what the issue is but I'll greatly appreciate any suggestions I can try.

Thank you

Nazesh

poitrsajordan

I appear to be having the same issue in V5. It has trouble with calling up the space groups? Does anyone have any advice?
I'm using jEdit 4.3.1 and Topas Academic V5

below is the output file after the "Exception caught"

Thanks for the help,
Jordan
------------------------------topas.log------------------------------------------------
Non-linear least squares (c) 1992-2014 Alan A. Coelho
Loading D:\Topas5\topas.inc

*** Start of expanded input file: R:\PHD2019KW-A2617\TOPAS5\D1_1_24H.inp ***

seed
index_lam 1.540596
index_zero_error

try_space_groups "196"
try_space_groups "197"
try_space_groups "195"
try_space_groups "146"
try_space_groups "143"
try_space_groups "79"
try_space_groups "75"
try_space_groups "22"
try_space_groups "23"
try_space_groups "21"
try_space_groups "16"
try_space_groups "5"
try_space_groups "3"
load index_th2 index_I {

21.05817 79.63548
21.53373 22.5286
23.1492 325.8668
24.48737 29.7
25.01391 133.8109
26.59999 80.73531
27.17485 164.7755
28.24452 41.73761
29.50698 2923.87
31.51985 101.3568
31.80244 86.24307
32.77977 293.3824
35.60128 30.12028
36.10093 312.0954
39.53017 468.0221
40.40159 33.97043
42.76043 61.63958
43.28041 428.9036
43.97193 105.8327
45.55105 37.66482
46.96273 75.1
47.23668 159.6886
47.59116 460.1996
48.60566 483.3146
49.1822 55.66606
50.13104 114.6718
52.87993 37.06816
55.91576 42.71572
56.67491 104.3261
57.50073 219.3874
58.14188 43.6
58.33716 71.68781

}

*** End of expanded input file: R:\PHD2019KW-A2617\TOPAS5\D1_1_24H.inp ***

Trying f23 196

alancoelho

I ran indexing twice on your INP file using V5 and the GUI and all seems ok.

Can you run using TC.EXE to check if its the GUI.

poitrsajordan

Thanks Alan

If using tc.exe via command prompt it stops at the same point.

with these details

Problem signature:
Problem Event Name: APPCRASH
Application Name: tc.exe
Application Version: 0.0.0.0
Application Timestamp: 5571b795
Fault Module Name: tc.exe
Fault Module Version: 0.0.0.0
Fault Module Timestamp: 5571b795
Exception Code: c0000005
Exception Offset: 0018238f
OS Version: 6.3.9600.2.0.0.16.7
Locale ID: 3081
Additional Information 1: 5861
Additional Information 2: 5861822e1919d7c014bbb064c64908b2
Additional Information 3: 6fbe
Additional Information 4: 6fbe6bde2701766d81cbca0597a5fa35

alancoelho

The error doesn't help much. Does the program work in a test_example, does the following run:

tc indexing\ex2

poitrsajordan

Thanks for the time

it turns out one of the permissions were recently reset on my account

sorry about that