Hotfix of parallel GPU inference

Missed an indent when merging
mala-project · Apr 25, 2024 · 4c45dac · 4c45dac
1 parent 20ebf98
commit 4c45dac
Showing 1 changed file with 12 additions and 12 deletions.
diff --git a/mala/descriptors/descriptor.py b/mala/descriptors/descriptor.py
@@ -757,18 +757,18 @@ def _setup_lammps(
             lammps_dict["ngridy"] = ny
             lammps_dict["ngridz"] = nz
             lammps_dict["switch"] = self.parameters.bispectrum_switchflag
-            if self.parameters._configuration["gpu"]:
-                # Tell Kokkos to use one GPU.
-                lmp_cmdargs.append("-k")
-                lmp_cmdargs.append("on")
-                lmp_cmdargs.append("g")
-                lmp_cmdargs.append("1")
-
-                # Tell LAMMPS to use Kokkos versions of those commands for
-                # which a Kokkos version exists.
-                lmp_cmdargs.append("-sf")
-                lmp_cmdargs.append("kk")
-                pass
+        if self.parameters._configuration["gpu"]:
+            # Tell Kokkos to use one GPU.
+            lmp_cmdargs.append("-k")
+            lmp_cmdargs.append("on")
+            lmp_cmdargs.append("g")
+            lmp_cmdargs.append("1")
+
+            # Tell LAMMPS to use Kokkos versions of those commands for
+            # which a Kokkos version exists.
+            lmp_cmdargs.append("-sf")
+            lmp_cmdargs.append("kk")
+            pass
 
         lmp_cmdargs = set_cmdlinevars(lmp_cmdargs, lammps_dict)