adding underfill case

examples/cfd/underfill/conf/config.yaml

@@ -0,0 +1,36 @@
+# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES.
+# SPDX-FileCopyrightText: All rights reserved.
+# SPDX-License-Identifier: Apache-2.0
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+hydra:
+  job:
+    chdir: True
+  run:
+    dir: ./outputs/
+
+experiment_name: "Unified-Training"
+experiment_desc: "unified training recipe for crash models"
+run_desc: "unified training recipe for crash models"
+
+defaults:
+  - datapipe: point_cloud   # will be overridden by model configs
+  - model: transolver_autoregressive_rollout_training
+  - training: default
+  - inference: default
+  - _self_
+
+reader:
+  _target_: vtp_reader.Reader
+  debug: ${training.debug}

examples/cfd/underfill/conf/datapipe/graph.yaml

@@ -0,0 +1,24 @@
+# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES.
+# SPDX-FileCopyrightText: All rights reserved.
+# SPDX-License-Identifier: Apache-2.0
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+_target_: datapipe.CrashGraphDataset
+_convert_: all
+data_dir: ${training.raw_data_dir}
+name: crash_train
+split: train
+num_samples: ${training.num_training_samples}
+num_steps: ${training.num_time_steps}
+features: [thickness]

examples/cfd/underfill/conf/datapipe/point_cloud.yaml

@@ -0,0 +1,25 @@
+# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES.
+# SPDX-FileCopyrightText: All rights reserved.
+# SPDX-License-Identifier: Apache-2.0
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+_target_: datapipe.UnderfillDataset
+_convert_: all
+data_dir: ${training.raw_data_dir}
+num_samples: ${training.num_samples}
+num_steps: ${training.num_time_steps}
+dt: 5e-3
+
+# Only epoxy_vof - no need to specify features list since it's hardcoded
+debug: ${training.debug}

examples/cfd/underfill/conf/inference/default.yaml

@@ -0,0 +1,20 @@
+# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES.
+# SPDX-FileCopyrightText: All rights reserved.
+# SPDX-License-Identifier: Apache-2.0
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+output_dir_pred: "./predicted_vtps"
+output_dir_exact: "./exact_vtps"
+raw_data_dir_test: "/workspace/aghasemi/isv/ansys/data/converted_output_singleVTU-VTP2/val"
+#raw_data_dir_test: raw_data_dir_test:"/workspace/isv/ansys/data/converted_output_singleVTU-VTP/val"

examples/cfd/underfill/conf/model/transolver_autoregressive_rollout_training.yaml

@@ -0,0 +1,48 @@
+# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES.
+# SPDX-FileCopyrightText: All rights reserved.
+# SPDX-License-Identifier: Apache-2.0
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+
+
+_target_: rollout.TransolverAutoregressiveRollout
+_convert_: all
+# --- INPUT DIMENSION CORRECTION ---
+# Math: 
+#   1 (Epoxy VOF)
+# + 1 (Pressure)
+# + 3 (Velocity Vector)
+# + 1 (Time Embedding)
+# = 6 Total Input Channels
+#functional_dim: 6  
+functional_dim: 16     # epoxy_vof(1) + fourier features
+
+# --- OUTPUT DIMENSION CORRECTION ---
+# Math:
+#   The model predicts the next state of the physics fields.
+#   1 (Epoxy VOF) + 1 (Pressure) + 3 (Velocity) = 5
+#out_dim: 5
+out_dim: 1            # epoxy_vof prediction
+
+geometry_dim: 3
+slice_num: 64
+n_layers: 5
+use_te: false
+time_input: false
+include_local_features: true
+num_time_steps: ${training.num_time_steps}
+dt: 5e-3
+
+
+

examples/cfd/underfill/conf/reader/vtp.yaml

@@ -0,0 +1,18 @@
+# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES.
+# SPDX-FileCopyrightText: All rights reserved.
+# SPDX-License-Identifier: Apache-2.0
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+_target_: vtu_reader.Reader
+_convert_: all

examples/cfd/underfill/conf/training/default.yaml

@@ -0,0 +1,58 @@
+# SPDX-FileCopyrightText: Copyright (c) 2023 - 2025 NVIDIA CORPORATION & AFFILIATES.
+# SPDX-FileCopyrightText: All rights reserved.
+# SPDX-License-Identifier: Apache-2.0
+#
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+#
+#     http://www.apache.org/licenses/LICENSE-2.0
+#
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+
+# ┌───────────────────────────────────────────┐
+# │                   Data                    │
+# └───────────────────────────────────────────┘  
+
+#raw_data_dir:  "/code/aghasemi/isv/ansys/data/converted_output_singleVTU-VTP/train"  # TODO change
+raw_data_dir:  "/workspace/aghasemi/isv/ansys/data/converted_output_singleVTU-VTP2/train_all"
+raw_data_dir_validation:  "/workspace/aghasemi/isv/ansys/data/converted_output_singleVTU-VTP2/val" 
+max_workers_preprocessing: 64  # Maximum parallel workers
+debug: False
+
+# ┌───────────────────────────────────────────┐
+# │                 Training                  │
+# └───────────────────────────────────────────┘  
+epochs: 1201
+num_time_steps: 10
+# Performance
+amp: true             # Automatic Mixed Precision
+use_apex: false       # Use Apex FusedAdam if available
+num_dataloader_workers: 8
+start_lr: 0.0002
+end_lr:  0.000001
+scheduler_T0: 50       # restart period in epochs (first cycle length)
+scheduler_T_mult: 2    # multiply period by this factor after each restart
+
+
+# Training settings
+num_samples: 23
+num_validation_samples: 5
+validation_freq: 25
+save_chckpoint_freq: 25
+
+interface_mask:
+  vof_lo: 0.01         # nodes with VOF > this AND < vof_hi are "interface"
+  vof_hi: 0.99
+  band_fraction: 0.05 # dilate by 10% of domain extent along interface-normal axis
+  interface_axis: -1    # -1 = auto-detect per sample
+  absolute_expansion: 0
+
+ckpt_path: "./checkpoints"
+tensorboard_log_dir: ./tensorboard_logs
+# Debug mode (verbose output for first batch)
+