diff --git a/dvc.lock b/dvc.lock
index 33103e2..6bb2035 100644
--- a/dvc.lock
+++ b/dvc.lock
@@ -27232,15 +27232,15 @@ stages:
     outs:
     - path: nodes/depl/Packmol/atoms.h5
       hash: md5
-      md5: 2400ddfca5ec50ebe880626f190e0797
+      md5: 39380ec230e5378714d338776da9e790
       size: 27968
     - path: nodes/depl/Packmol/node-meta.json
       hash: md5
-      md5: 183c2b460f416178653dc0ea9b0a9fdd
+      md5: 5e0b2cfcda800b14b1e0b713d8909146
       size: 48
     - path: nodes/depl/Packmol/packmol
       hash: md5
-      md5: 9211f580932fa95a1d122b0e2be6699c.dir
+      md5: c8b3e52f00edc5172826bf4a3cbc7a42.dir
       size: 3841
       nfiles: 4
   depl_Packmol_1:
@@ -27248,15 +27248,15 @@ stages:
     deps:
     - path: nodes/depl/Packmol/atoms.h5
       hash: md5
-      md5: 2400ddfca5ec50ebe880626f190e0797
+      md5: 39380ec230e5378714d338776da9e790
       size: 27968
     - path: nodes/depl/Packmol/node-meta.json
       hash: md5
-      md5: 183c2b460f416178653dc0ea9b0a9fdd
+      md5: 5e0b2cfcda800b14b1e0b713d8909146
       size: 48
     - path: nodes/depl/Packmol/packmol
       hash: md5
-      md5: 9211f580932fa95a1d122b0e2be6699c.dir
+      md5: c8b3e52f00edc5172826bf4a3cbc7a42.dir
       size: 3841
       nfiles: 4
     params:
@@ -27264,7 +27264,7 @@ stages:
         depl_Packmol_1:
           box:
           count:
-          - 16
+          - 8
           data_ids:
           density: 900
           pbc: true
@@ -27272,16 +27272,16 @@ stages:
     outs:
     - path: nodes/depl/Packmol_1/atoms.h5
       hash: md5
-      md5: 7ec77fd6549c61434a9b28b7715027a8
-      size: 43328
+      md5: 34cf04ddb4032de238ea34596aaa1960
+      size: 35776
     - path: nodes/depl/Packmol_1/node-meta.json
       hash: md5
-      md5: 4dab86e07acb5e1b620a83587ef489a4
+      md5: fb6ded561e00da1722e0da7c2cba15b0
       size: 48
     - path: nodes/depl/Packmol_1/packmol
       hash: md5
-      md5: ac2a1f78e24d4acec487ee8d320e3c86.dir
-      size: 28854
+      md5: 565b6debcb6531b1fc75a04f6aedc040.dir
+      size: 15413
       nfiles: 3
   depl_ASEGeoOpt:
     cmd: zntrack run ipsuite.nodes.ASEGeoOpt --name depl_ASEGeoOpt
@@ -27313,16 +27313,16 @@ stages:
       size: 8933596
     - path: nodes/depl/Packmol_1/atoms.h5
       hash: md5
-      md5: 7ec77fd6549c61434a9b28b7715027a8
-      size: 43328
+      md5: 34cf04ddb4032de238ea34596aaa1960
+      size: 35776
     - path: nodes/depl/Packmol_1/node-meta.json
       hash: md5
-      md5: 4dab86e07acb5e1b620a83587ef489a4
+      md5: fb6ded561e00da1722e0da7c2cba15b0
       size: 48
     - path: nodes/depl/Packmol_1/packmol
       hash: md5
-      md5: ac2a1f78e24d4acec487ee8d320e3c86.dir
-      size: 28854
+      md5: 565b6debcb6531b1fc75a04f6aedc040.dir
+      size: 15413
       nfiles: 3
     params:
       params.yaml:
@@ -27345,12 +27345,12 @@ stages:
       nfiles: 1
     - path: nodes/depl/ASEGeoOpt/node-meta.json
       hash: md5
-      md5: fe39d4aaaae596691bf44639f50031f0
+      md5: 4f8d82e5d777b0715c7a4bd0d3cbeffc
       size: 48
     - path: nodes/depl/ASEGeoOpt/trajectory.h5
       hash: md5
-      md5: 983b66b57f7c4f7f7e5d9043e0e0f8e4
-      size: 6554344
+      md5: 67203a958e889ff5f9bae5ab7fcbce2d
+      size: 9719256
   depl_ASEMD:
     cmd: zntrack run ipsuite.nodes.ASEMD --name depl_ASEMD
     deps:
@@ -27386,12 +27386,12 @@ stages:
       nfiles: 1
     - path: nodes/depl/ASEGeoOpt/node-meta.json
       hash: md5
-      md5: fe39d4aaaae596691bf44639f50031f0
+      md5: 4f8d82e5d777b0715c7a4bd0d3cbeffc
       size: 48
     - path: nodes/depl/ASEGeoOpt/trajectory.h5
       hash: md5
-      md5: 983b66b57f7c4f7f7e5d9043e0e0f8e4
-      size: 6554344
+      md5: 67203a958e889ff5f9bae5ab7fcbce2d
+      size: 9719256
     params:
       params.yaml:
         depl_ASEMD:
@@ -27417,8 +27417,8 @@ stages:
     outs:
     - path: nodes/depl/ASEMD/metrics_dict.csv
       hash: md5
-      md5: 983d17a2cde8d650b5cd0dd9f90e59f2
-      size: 42017
+      md5: 7667aa5831eafcdc7936f9833270fb6a
+      size: 41999
     - path: nodes/depl/ASEMD/model
       hash: md5
       md5: 64586897446153f477c052dd0e2579ad.dir
@@ -27426,16 +27426,16 @@ stages:
       nfiles: 1
     - path: nodes/depl/ASEMD/node-meta.json
       hash: md5
-      md5: 547a6e5066b6f5faab48d9656cdd68b0
-      size: 64
+      md5: 15ce8ca94939f782f3c9a30ada653ce2
+      size: 48
     - path: nodes/depl/ASEMD/steps_before_stopping.json
       hash: md5
       md5: 6bb61e3b7bce0931da574d19d1d82c88
       size: 2
     - path: nodes/depl/ASEMD/trajectory.h5
       hash: md5
-      md5: 0486da66cab9852204d102f0209fe6ce
-      size: 50790792
+      md5: 3e8975e4bfbf2025a0ac600f10ae3687
+      size: 25409160
   depl_ASEMD_1:
     cmd: zntrack run ipsuite.nodes.ASEMD --name depl_ASEMD_1
     deps:
@@ -27466,8 +27466,8 @@ stages:
       size: 8933596
     - path: nodes/depl/ASEMD/metrics_dict.csv
       hash: md5
-      md5: 983d17a2cde8d650b5cd0dd9f90e59f2
-      size: 42017
+      md5: 7667aa5831eafcdc7936f9833270fb6a
+      size: 41999
     - path: nodes/depl/ASEMD/model
       hash: md5
       md5: 64586897446153f477c052dd0e2579ad.dir
@@ -27475,16 +27475,16 @@ stages:
       nfiles: 1
     - path: nodes/depl/ASEMD/node-meta.json
       hash: md5
-      md5: 547a6e5066b6f5faab48d9656cdd68b0
-      size: 64
+      md5: 15ce8ca94939f782f3c9a30ada653ce2
+      size: 48
     - path: nodes/depl/ASEMD/steps_before_stopping.json
       hash: md5
       md5: 6bb61e3b7bce0931da574d19d1d82c88
       size: 2
     - path: nodes/depl/ASEMD/trajectory.h5
       hash: md5
-      md5: 0486da66cab9852204d102f0209fe6ce
-      size: 50790792
+      md5: 3e8975e4bfbf2025a0ac600f10ae3687
+      size: 25409160
     params:
       params.yaml:
         depl_ASEMD_1:
@@ -27507,8 +27507,8 @@ stages:
     outs:
     - path: nodes/depl/ASEMD_1/metrics_dict.csv
       hash: md5
-      md5: 35ad797b779589a3b5078a59bbfdaa97
-      size: 41989
+      md5: 38f06330fa7f29646f302d94fad17d75
+      size: 41969
     - path: nodes/depl/ASEMD_1/model
       hash: md5
       md5: 64586897446153f477c052dd0e2579ad.dir
@@ -27516,16 +27516,16 @@ stages:
       nfiles: 1
     - path: nodes/depl/ASEMD_1/node-meta.json
       hash: md5
-      md5: 1726952160edcfcd21c10afce4e9838c
-      size: 64
+      md5: 21952312416e2f30cc7836cc7011934b
+      size: 48
     - path: nodes/depl/ASEMD_1/steps_before_stopping.json
       hash: md5
       md5: 6bb61e3b7bce0931da574d19d1d82c88
       size: 2
     - path: nodes/depl/ASEMD_1/trajectory.h5
       hash: md5
-      md5: 7ae71e49129b96fce45aef46689fc2af
-      size: 50790792
+      md5: fed9ed12c153338ed91e19e139f585c8
+      size: 25409160
   ML17_training_MLModel_4:
     cmd: zntrack run ipsuite.nodes.Apax --name ML17_training_MLModel_4
     deps:
@@ -27813,8 +27813,8 @@ stages:
       size: 8933596
     - path: nodes/depl/ASEMD_1/metrics_dict.csv
       hash: md5
-      md5: 35ad797b779589a3b5078a59bbfdaa97
-      size: 41989
+      md5: 38f06330fa7f29646f302d94fad17d75
+      size: 41969
     - path: nodes/depl/ASEMD_1/model
       hash: md5
       md5: 64586897446153f477c052dd0e2579ad.dir
@@ -27822,16 +27822,16 @@ stages:
       nfiles: 1
     - path: nodes/depl/ASEMD_1/node-meta.json
       hash: md5
-      md5: 1726952160edcfcd21c10afce4e9838c
-      size: 64
+      md5: 21952312416e2f30cc7836cc7011934b
+      size: 48
     - path: nodes/depl/ASEMD_1/steps_before_stopping.json
       hash: md5
       md5: 6bb61e3b7bce0931da574d19d1d82c88
       size: 2
     - path: nodes/depl/ASEMD_1/trajectory.h5
       hash: md5
-      md5: 7ae71e49129b96fce45aef46689fc2af
-      size: 50790792
+      md5: fed9ed12c153338ed91e19e139f585c8
+      size: 25409160
     params:
       params.yaml:
         depl_ApaxJaxMD:
@@ -27852,14 +27852,14 @@ stages:
     outs:
     - path: nodes/depl/ApaxJaxMD/initial_structure.extxyz
       hash: md5
-      md5: fc771cb638ca56a79d07ce3218ce0f0a
-      size: 50547
+      md5: 16b46396e82c8f39bd6006d4524e1252
+      size: 25347
     - path: nodes/depl/ApaxJaxMD/md
       hash: md5
-      md5: ea658d6fc6eb15b4dfd04b05014e1623.dir
-      size: 7722462227
+      md5: 0fc8c0fe53570ae252197552e148dacc.dir
+      size: 4239550354
       nfiles: 6
     - path: nodes/depl/ApaxJaxMD/node-meta.json
       hash: md5
-      md5: 22a73482bec976bda5099f57c3daa1ce
-      size: 64
+      md5: bb623661d4a74a71202f4ef5e532dab9
+      size: 48
diff --git a/main.py b/main.py
index df4b75f..26ecc40 100644
--- a/main.py
+++ b/main.py
@@ -959,7 +959,7 @@
 
     structure = ips.configuration_generation.Packmol(
         data=[single_structure.atoms],
-        count=[16], # 16, 32, 64
+        count=[8], # 16, 32, 64
         density=900,
     )
 
@@ -1002,4 +1002,4 @@
 
 project.build(nodes=[depl])
 
-# pip uninstall jax jaxlib nvidia-nvtx-cu12 nvidia-nccl-cu12 nvidia-nvjitlink-cu12 nvidia-cusparse-cu12 nvidia-cublas-cu12 nvidia-cuda-cupti-cu12 nvidia-cuda-nvcc-cu12 nvidia-cuda-nvrtc-cu12 nvidia-cuda-runtime-cu12 nvidia-cudnn-cu12 nvidia-cufft-cu12 nvidia-curand-cu12 nvidia-cusolver-cu12 
\ No newline at end of file
+# pip uninstall jax jaxlib nvidia-nvtx-cu12 nvidia-nccl-cu12 nvidia-nvjitlink-cu12 nvidia-cusparse-cu12 nvidia-cublas-cu12 nvidia-cuda-cupti-cu12 nvidia-cuda-nvcc-cu12 nvidia-cuda-nvrtc-cu12 nvidia-cuda-runtime-cu12 nvidia-cudnn-cu12 nvidia-cufft-cu12 nvidia-curand-cu12 nvidia-cusolver-cu12 
diff --git a/nodes/depl/ASEGeoOpt/node-meta.json b/nodes/depl/ASEGeoOpt/node-meta.json
index b49e633..95818b5 100644
--- a/nodes/depl/ASEGeoOpt/node-meta.json
+++ b/nodes/depl/ASEGeoOpt/node-meta.json
@@ -1 +1 @@
-{"uuid": "0d584356-51f5-4a5f-ace8-5a4c3eaacc1f"}
\ No newline at end of file
+{"uuid": "9839dd5f-732e-4533-aed7-a467dc0d6aaa"}
\ No newline at end of file
diff --git a/nodes/depl/ASEMD/node-meta.json b/nodes/depl/ASEMD/node-meta.json
index 79f5b0c..3474c0b 100644
--- a/nodes/depl/ASEMD/node-meta.json
+++ b/nodes/depl/ASEMD/node-meta.json
@@ -1 +1 @@
-{"uuid": "6718a1e1-ffcd-4291-b487-436f21b3e9f4", "run_count": 1}
\ No newline at end of file
+{"uuid": "43e7a5e2-cf35-4b8c-b78f-0b6f7a6ebd02"}
\ No newline at end of file
diff --git a/nodes/depl/ASEMD_1/node-meta.json b/nodes/depl/ASEMD_1/node-meta.json
index 1615ce6..b0e6909 100644
--- a/nodes/depl/ASEMD_1/node-meta.json
+++ b/nodes/depl/ASEMD_1/node-meta.json
@@ -1 +1 @@
-{"uuid": "6cb887a6-6c62-4edc-8471-edaa963ffaf4", "run_count": 1}
\ No newline at end of file
+{"uuid": "0536ba9f-2984-4ccf-8b71-afcce80bd8f5"}
\ No newline at end of file
diff --git a/nodes/depl/ApaxJaxMD/node-meta.json b/nodes/depl/ApaxJaxMD/node-meta.json
index f97b401..49c2207 100644
--- a/nodes/depl/ApaxJaxMD/node-meta.json
+++ b/nodes/depl/ApaxJaxMD/node-meta.json
@@ -1 +1 @@
-{"uuid": "43998d26-aec1-481d-9cd6-55bf6c0515d3", "run_count": 1}
\ No newline at end of file
+{"uuid": "f44d518d-6b07-4262-991f-8a70f5c961c8"}
\ No newline at end of file
diff --git a/nodes/depl/Packmol/node-meta.json b/nodes/depl/Packmol/node-meta.json
index c420b06..ec9a8ac 100644
--- a/nodes/depl/Packmol/node-meta.json
+++ b/nodes/depl/Packmol/node-meta.json
@@ -1 +1 @@
-{"uuid": "c1b8c707-89b9-444f-892d-2f173a8bad8d"}
\ No newline at end of file
+{"uuid": "701891fe-faeb-4b38-b3bf-547af9ad7754"}
\ No newline at end of file
diff --git a/nodes/depl/Packmol_1/node-meta.json b/nodes/depl/Packmol_1/node-meta.json
index b1bd775..cb919d5 100644
--- a/nodes/depl/Packmol_1/node-meta.json
+++ b/nodes/depl/Packmol_1/node-meta.json
@@ -1 +1 @@
-{"uuid": "12b972d9-3c62-4873-a260-c2a25705c182"}
\ No newline at end of file
+{"uuid": "8b9c1ff8-161e-4a6f-b0fd-b437101eed86"}
\ No newline at end of file
diff --git a/params.yaml b/params.yaml
index 2fd73d5..ec68f3d 100644
--- a/params.yaml
+++ b/params.yaml
@@ -1296,7 +1296,7 @@ depl_Packmol:
 depl_Packmol_1:
     box: null
     count:
-    - 16
+    - 8
     data_ids: null
     density: 900
     pbc: true
diff --git a/submit_cpu.sh b/submit_cpu.sh
deleted file mode 100644
index 57aa00b..0000000
--- a/submit_cpu.sh
+++ /dev/null
@@ -1,17 +0,0 @@
-#!/bin/bash
-#SBATCH --partition=cpu-multi
-#SBATCH --ntasks=32
-#SBATCH --cpus-per-task=8
-#SBATCH --time=16:00:00
-#SBATCH --mem=32gb
-
-source ~/.bashrc
-
-export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
-export IPSUITE_CP2K_SHELL="mpirun -n ${SLURM_NTASKS} cp2k_shell.psmp"
-
-module load compiler/gnu
-module load mpi/openmpi
-conda activate ips_jax
-
-dvc repro
diff --git a/submit_ehlers.sh b/submit_ehlers.sh
new file mode 100644
index 0000000..7d36202
--- /dev/null
+++ b/submit_ehlers.sh
@@ -0,0 +1,14 @@
+#!/bin/bash
+#SBATCH --partition=dgx
+#SBATCH --ntasks=1
+#SBATCH --cpus-per-task=8
+#SBATCH --time=12:00:00
+#SBATCH --gres=gpu:1
+#SBATCH --mem=32gb
+#SBATCH --job-name=313K-8Pairs
+
+source ~/.bashrc
+conda activate ips
+
+# dvc repro
+zntrack run ipsuite.nodes.ApaxJaxMD --name depl_ApaxJaxMD
diff --git a/submit_gpu.sh b/submit_gpu.sh
deleted file mode 100644
index 619733a..0000000
--- a/submit_gpu.sh
+++ /dev/null
@@ -1,18 +0,0 @@
-#!/bin/bash
-#SBATCH --partition=single
-#SBATCH --ntasks=1
-#SBATCH --cpus-per-task=1
-#SBATCH --time=02:00:00
-#SBATCH --gres=gpu:1
-#SBATCH --mem=8gb
-
-source ~/.bashrc
-
-export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
-export IPSUITE_CP2K_SHELL="mpirun -n ${SLURM_NTASKS} cp2k_shell.psmp"
-
-module load compiler/gnu
-module load mpi/openmpi
-conda activate ips_apax
-
-dvc repro
\ No newline at end of file
diff --git a/submit_single_multi.sh b/submit_single_multi.sh
deleted file mode 100644
index 87a6b1e..0000000
--- a/submit_single_multi.sh
+++ /dev/null
@@ -1,18 +0,0 @@
-#!/bin/bash
-#SBATCH --partition=single
-#SBATCH --ntasks=8
-#SBATCH --cpus-per-task=4
-#SBATCH --time=120:00:00
-#SBATCH --gres=gpu:1
-#SBATCH --mem=32gb
-
-source ~/.bashrc
-
-export OMP_NUM_THREADS=${SLURM_CPUS_PER_TASK}
-export IPSUITE_CP2K_SHELL="mpirun -n ${SLURM_NTASKS} cp2k_shell.psmp"
-
-module load compiler/gnu
-module load mpi/openmpi
-conda activate ips_apax
-
-dvc repro