Add lammps@20210310 % [email protected] ^[email protected] ^[email protected] to exp/0.…

…17.3/gpu/b

We'd previously come across runtime problems [1] after building this
version of LAMMPS against the [email protected] ^[email protected] ^[email protected]
package dependency chain available in expanse/0.17.3/gpu/b. However,
after moving to the new [email protected] ^[email protected] ^[email protected] package
dependnecy chain deployed for amber@22, this has resolved the runtime
problems. The standard LJ benchmarks are now running successfully on
both 1 and 4 NVIDIA V100 GPUs.

[1]

Setting up Verlet run ...
  Unit style    : lj
  Current step  : 10
  Time step     : 0.005
ERROR on proc 0: Non-numeric atom coords - simulation unstable (src/src/domain.cpp:548)
Abort(1) on node 0 (rank 0 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0