strange error

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1

Hi happy users

I am trying to test performance of lammps on our server and as a first step before any other test I tried to run the
benchmark tests from sandia/lammps web site. However when I try rhodopsin using input file from site
I got the following error:

ERROR: Illegal fix nvt/npt/nph command (…/fix_nh.cpp:324)

Anyone see the is error? Thanks

Alex

2

Hi happy users

I am trying to test performance of lammps on our server and as a first step
before any other test I tried to run the
benchmark tests from sandia/lammps web site. However when I try rhodopsin
using input file from site
I got the following error:

ERROR: Illegal fix nvt/npt/nph command (../fix_nh.cpp:324)

Anyone see the is error? Thanks

yes. you are likely using a very old input deck. please use the
rhodopsin input from the "bench" directory of the LAMMPS distribution.

axel.

3

Thanks Axel

I was using the one from the lamps benchmark web page. Thanks for help.

Alex