Update lammps.md

Becksteinlab · Oct 30, 2024 · 49c8f6e · 49c8f6e
1 parent ba70369
commit 49c8f6e
Showing 1 changed file with 4 additions and 3 deletions.
diff --git a/imdclient/tests/hpc_testing/lammps/lammps.md b/imdclient/tests/hpc_testing/lammps/lammps.md
@@ -2,7 +2,7 @@
 
 ## GPU, MPI, and asynchronous IMD testing
 
-Allocate a GPU node on SOL and clone in https://github.com/ljwoods2/lammps/tree/imdv3
+Allocate a GPU node on SOL and clone in https://github.com/ljwoods2/lammps/tree/imd-v3
 
 After cloning, do:
 
@@ -25,7 +25,8 @@ In one shell (with all modules above loaded), navigate to the lammps hpc testing
 ```bash
 cd imdclient/tests/hpc_testing/lammps
 
-mpiexec -np 2 --oversubscribe /home/ljwoods2/workspace/lammps/build_gpu/lmp -sf gpu -in /home/ljwoods2/workspace/imdclient/imdclient/tests/hpc_testing/lammps/lammps_v3.in 
+mpiexec -n 2 /home/ljwoods2/workspace/lammps/build_gpu/lmp -sf gpu -in \
+    /home/ljwoods2/workspace/imdclient/imdclient/tests/hpc_testing/lammps/lammps_v3.in 
 ```
 
 In another shell, run the test script
@@ -38,4 +39,4 @@ pytest -s imdclient/tests/test_manual.py \
     --topol_path_arg imdclient/tests/hpc_testing/lammps/topology_after_min.data \
     --traj_path_arg imdclient/tests/hpc_testing/lammps/lammps_trj.h5md \
     --first_frame_arg 1
-```
+```