Dear LAMMPS users,
I am running a script on my computer and on some clusters. On my computer the script perfectly runs while on the clusters it gives the following error:
ERROR: Illegal atom_modify command (…/atom.cpp:574)
Some simulations run on a single node, some on multiple, but I got the same error in both cases at the really begin of the script (see attached log.file).
The LAMMPS version on the clusters is 16 Feb 2016, the one on my computer is 23 Oct 2017. Please find attached:
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the lammps script + a “small” data file + potential file to run it
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the log file with the error I got from simulations on clusters
I thank you in advance for your help,
Carolina Baruffi
log.lammps (1.13 KB)
diamond_S21.data (34.8 KB)
SiC_Erhart-Albe.tersoff (1.73 KB)
vacancy_en.inp (2.89 KB)
Dear LAMMPS users,
I am running a script on my computer and on some clusters. On my computer the script perfectly runs while on the clusters it gives the following error:
ERROR: Illegal atom_modify command (…/atom.cpp:574)
Some simulations run on a single node, some on multiple, but I got the same error in both cases at the really begin of the script (see attached log.file).
the explanation is simple and logical from the description: the option “yes” to the ‘atom_modify map’ command does not exist in the 2016 version of LAMMPS. you can verify this easily by comparing the two manuals for the two specific versions. the 2016 version will only mention the options “hash” and “array”.
axel.
logic and simple, I found the manual of the old version on internet and check it. Thank you!
Best,
Carolina Baruffi