Closed zezhong-zhang closed 4 years ago
The conda-forge's deepmd currently only supports tensorflow 1.13.
I tried to uninstall the 2.0.0 and reinstall deepmd. then found that the current deepmd in the conda-forge actually specify tensorflow 2.0.0 which makes it unworkable.
`conda install -c conda-forge deepmd-kit
Collecting package metadata (current_repodata.json): done Solving environment: done
==> WARNING: A newer version of conda exists. <== current version: 4.7.12 latest version: 4.8.2
Please update conda by running
$ conda update -n base -c defaults conda
environment location: /Users/Zezhong/anaconda3/envs/atomate
added / updated specs:
The following packages will be downloaded:
package | build
---------------------------|-----------------
certifi-2019.11.28 | py37_0 148 KB conda-forge
deepmd-kit-1.1.3 | py37h2af55cb_0 2.0 MB conda-forge
h5py-2.10.0 |nompi_py37h106b333_102 1015 KB conda-forge
libcxx-9.0.1 | 1 1011 KB conda-forge
libprotobuf-3.11.3 | hd174df1_0 4.5 MB conda-forge
markdown-3.2 | py_0 61 KB conda-forge
protobuf-3.11.3 | py37h4a8c4bd_0 683 KB conda-forge
------------------------------------------------------------
Total: 9.3 MB
The following NEW packages will be INSTALLED:
_tflow_select pkgs/main/osx-64::_tflow_select-2.3.0-mkl absl-py conda-forge/osx-64::absl-py-0.9.0-py37_0 astor conda-forge/noarch::astor-0.7.1-py_0 c-ares conda-forge/osx-64::c-ares-1.15.0-h01d97ff_1001 deepmd-kit conda-forge/osx-64::deepmd-kit-1.1.3-py37h2af55cb_0 gast conda-forge/noarch::gast-0.2.2-py_0 google-pasta conda-forge/noarch::google-pasta-0.1.8-py_0 grpcio conda-forge/osx-64::grpcio-1.23.0-py37h8a88325_0 h5py conda-forge/osx-64::h5py-2.10.0-nompi_py37h106b333_102 hdf5 conda-forge/osx-64::hdf5-1.10.5-nompi_h0cbb7df_1103 keras-applications conda-forge/noarch::keras-applications-1.0.8-py_1 keras-preprocessi~ conda-forge/noarch::keras-preprocessing-1.1.0-py_0 libprotobuf conda-forge/osx-64::libprotobuf-3.11.3-hd174df1_0 markdown conda-forge/noarch::markdown-3.2-py_0 opt_einsum conda-forge/noarch::opt_einsum-3.1.0-py_0 protobuf conda-forge/osx-64::protobuf-3.11.3-py37h4a8c4bd_0 tensorboard pkgs/main/noarch::tensorboard-2.0.0-pyhb38c66f_1 tensorflow pkgs/main/osx-64::tensorflow-2.0.0-mkl_py37hda344b4_0 tensorflow-base pkgs/main/osx-64::tensorflow-base-2.0.0-mkl_py37h66b1bf0_0 tensorflow-estima~ pkgs/main/noarch::tensorflow-estimator-2.0.0-pyh2649769_0 termcolor conda-forge/noarch::termcolor-1.1.0-py_2 wrapt conda-forge/osx-64::wrapt-1.11.2-py37h0b31af3_0
The following packages will be UPDATED:
libcxx pkgs/main::libcxx-4.0.1-hcfea43d_1 --> conda-forge::libcxx-9.0.1-1
The following packages will be SUPERSEDED by a higher-priority channel:
ca-certificates pkgs/main::ca-certificates-2020.1.1-0 --> conda-forge::ca-certificates-2019.11.28-hecc5488_0 certifi pkgs/main --> conda-forge `
I can confirm this issue. You can try conda install deepmd-kit tensorflow=1.13 -c conda-forge
to specify the tensorflow version.
The tensorflow version seems to be not pinned... I'll submit a PR to fix it then,
Tried conda install deepmd-kit tensorflow=1.13 -c conda-forge
, runing dp, I guess it works except has some deprecated warning from tensorflow.
/Users/Zezhong/anaconda3/envs/atomate/lib/python3.7/site-packages/tensorflow/python/framework/dtypes.py:526: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'.
_np_qint8 = np.dtype([("qint8", np.int8, 1)])
/Users/Zezhong/anaconda3/envs/atomate/lib/python3.7/site-packages/tensorflow/python/framework/dtypes.py:527: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'.
_np_quint8 = np.dtype([("quint8", np.uint8, 1)])
/Users/Zezhong/anaconda3/envs/atomate/lib/python3.7/site-packages/tensorflow/python/framework/dtypes.py:528: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'.
_np_qint16 = np.dtype([("qint16", np.int16, 1)])
/Users/Zezhong/anaconda3/envs/atomate/lib/python3.7/site-packages/tensorflow/python/framework/dtypes.py:529: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'.
_np_quint16 = np.dtype([("quint16", np.uint16, 1)])
/Users/Zezhong/anaconda3/envs/atomate/lib/python3.7/site-packages/tensorflow/python/framework/dtypes.py:530: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'.
_np_qint32 = np.dtype([("qint32", np.int32, 1)])
/Users/Zezhong/anaconda3/envs/atomate/lib/python3.7/site-packages/tensorflow/python/framework/dtypes.py:535: FutureWarning: Passing (type, 1) or '1type' as a synonym of type is deprecated; in a future version of numpy, it will be understood as (type, (1,)) / '(1,)type'.
np_resource = np.dtype([("resource", np.ubyte, 1)])
WARNING:tensorflow:From /Users/Zezhong/anaconda3/envs/atomate/lib/python3.7/site-packages/tensorflow/python/compat/compat.py:175: disable_resource_variables (from tensorflow.python.ops.variable_scope) is deprecated and will be removed in a future version.
Instructions for updating:
non-resource variables are not supported in the long term
WARNING:root:Environment variable KMP_BLOCKTIME is empty. Use the default value 0
WARNING:root:Environment variable KMP_AFFINITY is empty. Use the default value granularity=fine,verbose,compact,1,0
usage: dp [-h] {train,freeze,test} ...
DeePMD-kit: A deep learning package for many-body potential energy
representation and molecular dynamics
optional arguments:
-h, --help show this help message and exit
Valid subcommands:
{train,freeze,test}
train train a model
freeze freeze the model
test test the model
Traceback (most recent call last):
File "/Users/Zezhong/anaconda3/envs/atomate/bin/dp", line 8, in <module>
sys.exit(main())
File "/Users/Zezhong/anaconda3/envs/atomate/lib/python3.7/site-packages/deepmd/main.py", line 71, in main
raise RuntimeError('unknown command ' + args.command)
TypeError: can only concatenate str (not "NoneType") to str
Just ignore the warning. It has worked well.
Thanks!
Hi,
I installed deepmd on mac using
conda install -c conda-forge deepmd-kit
and I can confirm that it is installed usingThe tensorflow is installed with version 2.0.0
When I ran
dp
, it has the following error, is it due to the verison of tensorflow? Many thanks for your help.