[lammps-users] problems compiling lammps with gpu support

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1

Dear Mike,
The simple installation with -arch-sm_10 failed.

2

There is an error, albeit somewhat hidden, in your output:

ERROR: Cannot use newton pair with GPU LJ pair style

Add newton off to the input and see if it works. If it compiled with sm_10, no need to edit any files.

  • Mike
3

Dear Mike,
It now works. :slight_smile:
Are you including the neigh option as hinted below?
Thank you very much,
Markus

4

I was confused based on an earlier version of the code. Currently, LAMMPS should work with any compute capability for single precision (neighbor builds too). Just have to set that correctly in the makefile.

will add a check to generate an appropriate error in any future versions.

  • Mike