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I am using deepmd-kit (CPU version, 2.2.11) together with DP-GEN (version 0.13.1) to train a deep learning potential. Everything has been running smoothly; however, I have noticed several warnings or informational messages in the model_devi.log files during the model deviation stage. Although these warnings did not terminate the molecular dynamics simulations, I am not sure whether they will affect the accuracy of the MD simulations or the derived potentials. Could you please provide some guidance on this matter? Thank you!
As these messages are repeated many times in the enclosed model_devi.log file, I have listed them below:
I tensorflow/core/util/port.cc:113] oneDNN custom operations are on. You may see slightly different numerical results due to floating-point round-off errors from different computation orders. To turn them off, set the environment variable TF_ENABLE_ONEDNN_OPTS=0.
I tensorflow/core/platform/cpu_feature_guard.cc:210] This TensorFlow binary is optimized to use available CPU instructions in performance-critical operations.
To enable the following instructions: SSE4.1 SSE4.2 AVX AVX2 AVX512F AVX512_VNNI AVX512_BF16 AVX512_FP16 AVX_VNNI AMX_TILE AMX_INT8 AMX_BF16 FMA, in other operations, rebuild TensorFlow with the appropriate compiler flags.
I tensorflow/compiler/mlir/mlir_graph_optimization_pass.cc:388] MLIR V1 optimization pass is not enabled
INVALID_ARGUMENT: Tensor spin_attr/ntypes_spin:0, specified in either feed_devices or fetch_devices was not found in the Graph
W tensorflow/core/util/util.cc:161] Not handling type DT_DOUBLE
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Dear DeePMD developers,
I am using deepmd-kit (CPU version, 2.2.11) together with DP-GEN (version 0.13.1) to train a deep learning potential. Everything has been running smoothly; however, I have noticed several warnings or informational messages in the model_devi.log files during the model deviation stage. Although these warnings did not terminate the molecular dynamics simulations, I am not sure whether they will affect the accuracy of the MD simulations or the derived potentials. Could you please provide some guidance on this matter? Thank you!
As these messages are repeated many times in the enclosed model_devi.log file, I have listed them below:
Sincerely,
Xu
model_devi.log
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