I am a beginner in DL_POLY. I generated a two-grain CONFIG file of LLZO using atomsk (command: atomsk --polycrystal LLZO.cif polycrystal.txt CONFIG) which could be opened by OVITO. However, on running it in DL_POLY 4 I got the following error in windows and a somewhat similar error in Linux:
At line 1609 of file /home/drFaustroll/lavello/dl_poly_4.10.0/source/configuration.F90
Fortran runtime error: End of file
Error termination. Backtrace:
Could not print backtrace: libbacktrace could not find executable to open
#0 0xffffffff
#1 0xffffffff
#2 0xffffffff
#3 0xffffffff
#4 0xffffffff
#5 0xffffffff
#6 0xffffffff
#7 0xffffffff
#8 0xffffffff
#9 0xffffffff
#10 0xffffffff
#11 0xffffffff
#12 0xffffffff
#13 0xffffffff
#14 0xffffffff
#15 0xffffffff
#16 0xffffffff
#17 0xffffffff
#18 0xffffffff
#19 0xffffffff
#20 0xffffffff
#21 0xffffffff
When I tried test 1 and test 15 CONFIG files available with DL_POLY it ran as expected. But these test CONFIG files could not be opened in OVITO and displayed the following error:
Invalid atom counts (line 7): -45.05815629 -45.03214166 -45.06115671
I have used the same files as given in the test cases(from DATA folder) except for CONFIG. So is this an issue with atomsk or DL_POLY or is something wrong with my commands? Pls find the files in the link attached. Really appreciate a response as soon as possible.
https://drive.google.com/drive/folders/1MTBQi2AwSMtKcpHruKCCxRU_j-IPix3_?usp=sharing