In [1]:
!wget https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh
--2022-08-21 19:20:05-- https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh Resolving repo.anaconda.com (repo.anaconda.com)... 104.16.130.3, 104.16.131.3, 2606:4700::6810:8303, ... Connecting to repo.anaconda.com (repo.anaconda.com)|104.16.130.3|:443... connected. HTTP request sent, awaiting response... 200 OK Length: 76607678 (73M) [application/x-sh] Saving to: ‘miniconda.sh’ miniconda.sh 100%[===================>] 73.06M 156MB/s in 0.5s 2022-08-21 19:20:06 (156 MB/s) - ‘miniconda.sh’ saved [76607678/76607678]
In [2]:
!sh ./miniconda.sh -b -p `pwd`/miniconda3 -f
PREFIX=/content/miniconda3
Unpacking payload ...
Collecting package metadata (current_repodata.json): - \ | done
Solving environment: - \ | done
## Package Plan ##
environment location: /content/miniconda3
added / updated specs:
- _libgcc_mutex==0.1=main
- _openmp_mutex==4.5=1_gnu
- brotlipy==0.7.0=py39h27cfd23_1003
- ca-certificates==2022.3.29=h06a4308_1
- certifi==2021.10.8=py39h06a4308_2
- cffi==1.15.0=py39hd667e15_1
- charset-normalizer==2.0.4=pyhd3eb1b0_0
- colorama==0.4.4=pyhd3eb1b0_0
- conda-content-trust==0.1.1=pyhd3eb1b0_0
- conda-package-handling==1.8.1=py39h7f8727e_0
- conda==4.12.0=py39h06a4308_0
- cryptography==36.0.0=py39h9ce1e76_0
- idna==3.3=pyhd3eb1b0_0
- ld_impl_linux-64==2.35.1=h7274673_9
- libffi==3.3=he6710b0_2
- libgcc-ng==9.3.0=h5101ec6_17
- libgomp==9.3.0=h5101ec6_17
- libstdcxx-ng==9.3.0=hd4cf53a_17
- ncurses==6.3=h7f8727e_2
- openssl==1.1.1n=h7f8727e_0
- pip==21.2.4=py39h06a4308_0
- pycosat==0.6.3=py39h27cfd23_0
- pycparser==2.21=pyhd3eb1b0_0
- pyopenssl==22.0.0=pyhd3eb1b0_0
- pysocks==1.7.1=py39h06a4308_0
- python==3.9.12=h12debd9_0
- readline==8.1.2=h7f8727e_1
- requests==2.27.1=pyhd3eb1b0_0
- ruamel_yaml==0.15.100=py39h27cfd23_0
- setuptools==61.2.0=py39h06a4308_0
- six==1.16.0=pyhd3eb1b0_1
- sqlite==3.38.2=hc218d9a_0
- tk==8.6.11=h1ccaba5_0
- tqdm==4.63.0=pyhd3eb1b0_0
- tzdata==2022a=hda174b7_0
- urllib3==1.26.8=pyhd3eb1b0_0
- wheel==0.37.1=pyhd3eb1b0_0
- xz==5.2.5=h7b6447c_0
- yaml==0.2.5=h7b6447c_0
- zlib==1.2.12=h7f8727e_1
The following NEW packages will be INSTALLED:
_libgcc_mutex pkgs/main/linux-64::_libgcc_mutex-0.1-main
_openmp_mutex pkgs/main/linux-64::_openmp_mutex-4.5-1_gnu
brotlipy pkgs/main/linux-64::brotlipy-0.7.0-py39h27cfd23_1003
ca-certificates pkgs/main/linux-64::ca-certificates-2022.3.29-h06a4308_1
certifi pkgs/main/linux-64::certifi-2021.10.8-py39h06a4308_2
cffi pkgs/main/linux-64::cffi-1.15.0-py39hd667e15_1
charset-normalizer pkgs/main/noarch::charset-normalizer-2.0.4-pyhd3eb1b0_0
colorama pkgs/main/noarch::colorama-0.4.4-pyhd3eb1b0_0
conda pkgs/main/linux-64::conda-4.12.0-py39h06a4308_0
conda-content-tru~ pkgs/main/noarch::conda-content-trust-0.1.1-pyhd3eb1b0_0
conda-package-han~ pkgs/main/linux-64::conda-package-handling-1.8.1-py39h7f8727e_0
cryptography pkgs/main/linux-64::cryptography-36.0.0-py39h9ce1e76_0
idna pkgs/main/noarch::idna-3.3-pyhd3eb1b0_0
ld_impl_linux-64 pkgs/main/linux-64::ld_impl_linux-64-2.35.1-h7274673_9
libffi pkgs/main/linux-64::libffi-3.3-he6710b0_2
libgcc-ng pkgs/main/linux-64::libgcc-ng-9.3.0-h5101ec6_17
libgomp pkgs/main/linux-64::libgomp-9.3.0-h5101ec6_17
libstdcxx-ng pkgs/main/linux-64::libstdcxx-ng-9.3.0-hd4cf53a_17
ncurses pkgs/main/linux-64::ncurses-6.3-h7f8727e_2
openssl pkgs/main/linux-64::openssl-1.1.1n-h7f8727e_0
pip pkgs/main/linux-64::pip-21.2.4-py39h06a4308_0
pycosat pkgs/main/linux-64::pycosat-0.6.3-py39h27cfd23_0
pycparser pkgs/main/noarch::pycparser-2.21-pyhd3eb1b0_0
pyopenssl pkgs/main/noarch::pyopenssl-22.0.0-pyhd3eb1b0_0
pysocks pkgs/main/linux-64::pysocks-1.7.1-py39h06a4308_0
python pkgs/main/linux-64::python-3.9.12-h12debd9_0
readline pkgs/main/linux-64::readline-8.1.2-h7f8727e_1
requests pkgs/main/noarch::requests-2.27.1-pyhd3eb1b0_0
ruamel_yaml pkgs/main/linux-64::ruamel_yaml-0.15.100-py39h27cfd23_0
setuptools pkgs/main/linux-64::setuptools-61.2.0-py39h06a4308_0
six pkgs/main/noarch::six-1.16.0-pyhd3eb1b0_1
sqlite pkgs/main/linux-64::sqlite-3.38.2-hc218d9a_0
tk pkgs/main/linux-64::tk-8.6.11-h1ccaba5_0
tqdm pkgs/main/noarch::tqdm-4.63.0-pyhd3eb1b0_0
tzdata pkgs/main/noarch::tzdata-2022a-hda174b7_0
urllib3 pkgs/main/noarch::urllib3-1.26.8-pyhd3eb1b0_0
wheel pkgs/main/noarch::wheel-0.37.1-pyhd3eb1b0_0
xz pkgs/main/linux-64::xz-5.2.5-h7b6447c_0
yaml pkgs/main/linux-64::yaml-0.2.5-h7b6447c_0
zlib pkgs/main/linux-64::zlib-1.2.12-h7f8727e_1
Preparing transaction: - \ | / done
Executing transaction: \ | / - \ | / - \ | / - \ | / - \ done
installation finished.
WARNING:
You currently have a PYTHONPATH environment variable set. This may cause
unexpected behavior when running the Python interpreter in Miniconda3.
For best results, please verify that your PYTHONPATH only points to
directories of packages that are compatible with the Python interpreter
in Miniconda3: /content/miniconda3
In [3]:
!CONDA_OVERRIDE_CUDA=11.6 `pwd`/miniconda3/bin/conda create -n deepmd deepmd-kit=*=*gpu -c https://conda.deepmodeling.org -y
Collecting package metadata (current_repodata.json): - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - done
Solving environment: | / - \ | / - \ | / - \ | failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | done
Solving environment: - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / done
==> WARNING: A newer version of conda exists. <==
current version: 4.12.0
latest version: 4.13.0
Please update conda by running
$ conda update -n base -c defaults conda
## Package Plan ##
environment location: /content/miniconda3/envs/deepmd
added / updated specs:
- deepmd-kit[build=*gpu]
The following packages will be downloaded:
package | build
---------------------------|-----------------
_openmp_mutex-5.1 | 1_gnu 21 KB
abseil-cpp-20211102.0 | hd4dd3e8_0 1020 KB
absl-py-1.0.0 | pyh7a5ff2f_0 95 KB https://conda.deepmodeling.org
aiohttp-3.8.1 | py310h7f8727e_1 895 KB
aiosignal-1.2.0 | pyhd3eb1b0_0 12 KB
astunparse-1.6.3 | py_0 17 KB
async-timeout-4.0.1 | pyhd3eb1b0_0 10 KB
attrs-21.4.0 | pyhd3eb1b0_0 51 KB
backrefs-5.0.1 | pyhd8ed1ab_0 195 KB https://conda.deepmodeling.org
blas-1.0 | mkl 6 KB
blinker-1.4 | py310h06a4308_0 21 KB
bracex-2.1.1 | pyhd8ed1ab_0 12 KB https://conda.deepmodeling.org
brotlipy-0.7.0 |py310h7f8727e_1002 712 KB
bzip2-1.0.8 | h7b6447c_0 78 KB
c-ares-1.18.1 | h7f8727e_0 114 KB
ca-certificates-2022.07.19 | h06a4308_0 124 KB
cachetools-4.2.2 | pyhd3eb1b0_0 13 KB
certifi-2022.6.15 | py310h06a4308_0 153 KB
cffi-1.15.1 | py310h74dc2b5_0 407 KB
click-8.0.4 | py310h06a4308_0 156 KB
cryptography-37.0.1 | py310h9ce1e76_0 1.5 MB
cudatoolkit-11.6.0 | hd754f66_10 821.0 MB https://conda.deepmodeling.org
cudnn-8.4.0.27 | h5453bde_0 616.0 MB https://conda.deepmodeling.org
dargs-0.2.6 | pyh7a5ff2f_0 15 KB https://conda.deepmodeling.org
dataclasses-0.8 | pyh6d0b6a4_7 8 KB
deepmd-kit-2.1.4 |py310_0_cuda11.6_gpu 1.8 MB https://conda.deepmodeling.org
frozenlist-1.2.0 | py310h7f8727e_1 149 KB
gast-0.4.0 | pyhd3eb1b0_0 13 KB
giflib-5.2.1 | h7b6447c_0 78 KB
google-auth-2.6.0 | pyhd3eb1b0_0 83 KB
google-auth-oauthlib-0.4.4 | pyhd3eb1b0_0 18 KB
google-pasta-0.2.0 | pyhd3eb1b0_0 46 KB
grpcio-1.42.0 | py310hce63b2e_0 24.3 MB
h5py-3.7.0 | py310he06866b_0 4.1 MB
hdf5-1.10.6 | hb1b8bf9_0 3.7 MB
icu-68.1 | h2531618_0 11.8 MB
importlib-metadata-4.11.3 | py310h06a4308_0 41 KB
intel-openmp-2021.4.0 | h06a4308_3561 4.2 MB
jpeg-9e | h7f8727e_0 240 KB
jsoncpp-1.9.4 | hff7bd54_2 150 KB
keras-2.9.0 | pyh7a5ff2f_0 962 KB https://conda.deepmodeling.org
keras-preprocessing-1.1.2 | pyhd3eb1b0_0 35 KB
krb5-1.19.2 | hac12032_0 1.2 MB
ld_impl_linux-64-2.38 | h1181459_1 654 KB
libcurl-7.84.0 | h91b91d3_0 337 KB
libedit-3.1.20210910 | h7f8727e_0 166 KB
libev-4.33 | h7f8727e_1 111 KB
libgcc-ng-11.2.0 | h1234567_1 5.3 MB
libgfortran-ng-7.5.0 | ha8ba4b0_17 22 KB
libgfortran4-7.5.0 | ha8ba4b0_17 995 KB
libgomp-11.2.0 | h1234567_1 474 KB
libnghttp2-1.46.0 | hce63b2e_0 680 KB
libpng-1.6.37 | hbc83047_0 278 KB
libprotobuf-3.20.1 | h4ff587b_0 2.1 MB
libssh2-1.10.0 | h8f2d780_0 274 KB
libstdcxx-ng-11.2.0 | h1234567_1 4.7 MB
libuuid-1.0.3 | h7f8727e_2 17 KB
markdown-3.3.4 | py310h06a4308_0 128 KB
mkl-2021.4.0 | h06a4308_640 142.6 MB
mkl-service-2.4.0 | py310h7f8727e_0 177 KB
mkl_fft-1.3.1 | py310hd6ae3a3_0 567 KB
mkl_random-1.2.2 | py310h00e6091_0 1009 KB
multidict-5.1.0 | py310h7f8727e_2 148 KB
nccl-2.12.12.1 | h82364f3_0 142.9 MB https://conda.deepmodeling.org
ncurses-6.3 | h5eee18b_3 781 KB
numpy-1.23.1 | py310h1794996_0 11 KB
numpy-base-1.23.1 | py310hcba007f_0 14.3 MB
oauthlib-3.2.0 | pyh7a5ff2f_0 90 KB https://conda.deepmodeling.org
openssl-1.1.1q | h7f8727e_0 2.5 MB
opt_einsum-3.3.0 | pyhd3eb1b0_1 57 KB
packaging-21.3 | pyhd3eb1b0_0 36 KB
pip-22.1.2 | py310h06a4308_0 2.5 MB
protobuf-3.20.1 | py310h295c915_0 1.3 MB
pyasn1-0.4.8 | pyhd3eb1b0_0 54 KB
pyasn1-modules-0.2.8 | py_0 72 KB
pyjwt-2.4.0 | pyh7a5ff2f_0 19 KB https://conda.deepmodeling.org
pyparsing-3.0.4 | pyhd3eb1b0_0 81 KB
pysocks-1.7.1 | py310h06a4308_0 28 KB
python-3.10.4 | h12debd9_0 24.2 MB
python-flatbuffers-2.0 | pyhd3eb1b0_0 34 KB
python-hostlist-1.21 | pyh9f0ad1d_0 38 KB https://conda.deepmodeling.org
pyyaml-6.0 | py310h7f8727e_0 411 KB
requests-2.28.1 | py310h06a4308_0 93 KB
requests-oauthlib-1.3.0 | py_0 23 KB
rsa-4.7.2 | pyhd3eb1b0_1 28 KB
scipy-1.7.3 | py310hfa59a62_0 43.6 MB
setuptools-61.2.0 | py310h06a4308_0 1019 KB
snappy-1.1.9 | h295c915_0 636 KB
sqlite-3.39.2 | h5082296_0 1.1 MB
tensorboard-2.9.0 | pyh7a5ff2f_0 5.3 MB https://conda.deepmodeling.org
tensorboard-data-server-0.6.0| py310hca6d32c_0 2.7 MB
tensorboard-plugin-wit-1.8.1| py310h06a4308_0 677 KB
tensorflow-2.9.0 |cuda116py310h5dcf97d_0 411.9 MB https://conda.deepmodeling.org
termcolor-1.1.0 | py310h06a4308_1 8 KB
tk-8.6.12 | h1ccaba5_0 3.0 MB
typing-extensions-4.3.0 | py310h06a4308_0 9 KB
typing_extensions-4.3.0 | py310h06a4308_0 42 KB
urllib3-1.26.11 | py310h06a4308_0 183 KB
wcmatch-8.2 | pyhd8ed1ab_0 33 KB https://conda.deepmodeling.org
werkzeug-2.0.3 | pyhd3eb1b0_0 221 KB
wrapt-1.14.1 | py310h5eee18b_0 81 KB
xz-5.2.5 | h7f8727e_1 339 KB
yarl-1.6.3 | py310h7f8727e_1 244 KB
zipp-3.8.0 | py310h06a4308_0 15 KB
zlib-1.2.12 | h7f8727e_2 106 KB
------------------------------------------------------------
Total: 2.26 GB
The following NEW packages will be INSTALLED:
_libgcc_mutex pkgs/main/linux-64::_libgcc_mutex-0.1-main
_openmp_mutex pkgs/main/linux-64::_openmp_mutex-5.1-1_gnu
abseil-cpp pkgs/main/linux-64::abseil-cpp-20211102.0-hd4dd3e8_0
absl-py /noarch::absl-py-1.0.0-pyh7a5ff2f_0
aiohttp pkgs/main/linux-64::aiohttp-3.8.1-py310h7f8727e_1
aiosignal pkgs/main/noarch::aiosignal-1.2.0-pyhd3eb1b0_0
astunparse pkgs/main/noarch::astunparse-1.6.3-py_0
async-timeout pkgs/main/noarch::async-timeout-4.0.1-pyhd3eb1b0_0
attrs pkgs/main/noarch::attrs-21.4.0-pyhd3eb1b0_0
backrefs /noarch::backrefs-5.0.1-pyhd8ed1ab_0
blas pkgs/main/linux-64::blas-1.0-mkl
blinker pkgs/main/linux-64::blinker-1.4-py310h06a4308_0
bracex /noarch::bracex-2.1.1-pyhd8ed1ab_0
brotlipy pkgs/main/linux-64::brotlipy-0.7.0-py310h7f8727e_1002
bzip2 pkgs/main/linux-64::bzip2-1.0.8-h7b6447c_0
c-ares pkgs/main/linux-64::c-ares-1.18.1-h7f8727e_0
ca-certificates pkgs/main/linux-64::ca-certificates-2022.07.19-h06a4308_0
cachetools pkgs/main/noarch::cachetools-4.2.2-pyhd3eb1b0_0
certifi pkgs/main/linux-64::certifi-2022.6.15-py310h06a4308_0
cffi pkgs/main/linux-64::cffi-1.15.1-py310h74dc2b5_0
charset-normalizer pkgs/main/noarch::charset-normalizer-2.0.4-pyhd3eb1b0_0
click pkgs/main/linux-64::click-8.0.4-py310h06a4308_0
cryptography pkgs/main/linux-64::cryptography-37.0.1-py310h9ce1e76_0
cudatoolkit /linux-64::cudatoolkit-11.6.0-hd754f66_10
cudnn /linux-64::cudnn-8.4.0.27-h5453bde_0
dargs /noarch::dargs-0.2.6-pyh7a5ff2f_0
dataclasses pkgs/main/noarch::dataclasses-0.8-pyh6d0b6a4_7
deepmd-kit /linux-64::deepmd-kit-2.1.4-py310_0_cuda11.6_gpu
frozenlist pkgs/main/linux-64::frozenlist-1.2.0-py310h7f8727e_1
gast pkgs/main/noarch::gast-0.4.0-pyhd3eb1b0_0
giflib pkgs/main/linux-64::giflib-5.2.1-h7b6447c_0
google-auth pkgs/main/noarch::google-auth-2.6.0-pyhd3eb1b0_0
google-auth-oauth~ pkgs/main/noarch::google-auth-oauthlib-0.4.4-pyhd3eb1b0_0
google-pasta pkgs/main/noarch::google-pasta-0.2.0-pyhd3eb1b0_0
grpcio pkgs/main/linux-64::grpcio-1.42.0-py310hce63b2e_0
h5py pkgs/main/linux-64::h5py-3.7.0-py310he06866b_0
hdf5 pkgs/main/linux-64::hdf5-1.10.6-hb1b8bf9_0
icu pkgs/main/linux-64::icu-68.1-h2531618_0
idna pkgs/main/noarch::idna-3.3-pyhd3eb1b0_0
importlib-metadata pkgs/main/linux-64::importlib-metadata-4.11.3-py310h06a4308_0
intel-openmp pkgs/main/linux-64::intel-openmp-2021.4.0-h06a4308_3561
jpeg pkgs/main/linux-64::jpeg-9e-h7f8727e_0
jsoncpp pkgs/main/linux-64::jsoncpp-1.9.4-hff7bd54_2
keras /noarch::keras-2.9.0-pyh7a5ff2f_0
keras-preprocessi~ pkgs/main/noarch::keras-preprocessing-1.1.2-pyhd3eb1b0_0
krb5 pkgs/main/linux-64::krb5-1.19.2-hac12032_0
ld_impl_linux-64 pkgs/main/linux-64::ld_impl_linux-64-2.38-h1181459_1
libcurl pkgs/main/linux-64::libcurl-7.84.0-h91b91d3_0
libedit pkgs/main/linux-64::libedit-3.1.20210910-h7f8727e_0
libev pkgs/main/linux-64::libev-4.33-h7f8727e_1
libffi pkgs/main/linux-64::libffi-3.3-he6710b0_2
libgcc-ng pkgs/main/linux-64::libgcc-ng-11.2.0-h1234567_1
libgfortran-ng pkgs/main/linux-64::libgfortran-ng-7.5.0-ha8ba4b0_17
libgfortran4 pkgs/main/linux-64::libgfortran4-7.5.0-ha8ba4b0_17
libgomp pkgs/main/linux-64::libgomp-11.2.0-h1234567_1
libnghttp2 pkgs/main/linux-64::libnghttp2-1.46.0-hce63b2e_0
libpng pkgs/main/linux-64::libpng-1.6.37-hbc83047_0
libprotobuf pkgs/main/linux-64::libprotobuf-3.20.1-h4ff587b_0
libssh2 pkgs/main/linux-64::libssh2-1.10.0-h8f2d780_0
libstdcxx-ng pkgs/main/linux-64::libstdcxx-ng-11.2.0-h1234567_1
libuuid pkgs/main/linux-64::libuuid-1.0.3-h7f8727e_2
markdown pkgs/main/linux-64::markdown-3.3.4-py310h06a4308_0
mkl pkgs/main/linux-64::mkl-2021.4.0-h06a4308_640
mkl-service pkgs/main/linux-64::mkl-service-2.4.0-py310h7f8727e_0
mkl_fft pkgs/main/linux-64::mkl_fft-1.3.1-py310hd6ae3a3_0
mkl_random pkgs/main/linux-64::mkl_random-1.2.2-py310h00e6091_0
multidict pkgs/main/linux-64::multidict-5.1.0-py310h7f8727e_2
nccl /linux-64::nccl-2.12.12.1-h82364f3_0
ncurses pkgs/main/linux-64::ncurses-6.3-h5eee18b_3
numpy pkgs/main/linux-64::numpy-1.23.1-py310h1794996_0
numpy-base pkgs/main/linux-64::numpy-base-1.23.1-py310hcba007f_0
oauthlib /noarch::oauthlib-3.2.0-pyh7a5ff2f_0
openssl pkgs/main/linux-64::openssl-1.1.1q-h7f8727e_0
opt_einsum pkgs/main/noarch::opt_einsum-3.3.0-pyhd3eb1b0_1
packaging pkgs/main/noarch::packaging-21.3-pyhd3eb1b0_0
pip pkgs/main/linux-64::pip-22.1.2-py310h06a4308_0
protobuf pkgs/main/linux-64::protobuf-3.20.1-py310h295c915_0
pyasn1 pkgs/main/noarch::pyasn1-0.4.8-pyhd3eb1b0_0
pyasn1-modules pkgs/main/noarch::pyasn1-modules-0.2.8-py_0
pycparser pkgs/main/noarch::pycparser-2.21-pyhd3eb1b0_0
pyjwt /noarch::pyjwt-2.4.0-pyh7a5ff2f_0
pyopenssl pkgs/main/noarch::pyopenssl-22.0.0-pyhd3eb1b0_0
pyparsing pkgs/main/noarch::pyparsing-3.0.4-pyhd3eb1b0_0
pysocks pkgs/main/linux-64::pysocks-1.7.1-py310h06a4308_0
python pkgs/main/linux-64::python-3.10.4-h12debd9_0
python-flatbuffers pkgs/main/noarch::python-flatbuffers-2.0-pyhd3eb1b0_0
python-hostlist /noarch::python-hostlist-1.21-pyh9f0ad1d_0
pyyaml pkgs/main/linux-64::pyyaml-6.0-py310h7f8727e_0
readline pkgs/main/linux-64::readline-8.1.2-h7f8727e_1
requests pkgs/main/linux-64::requests-2.28.1-py310h06a4308_0
requests-oauthlib pkgs/main/noarch::requests-oauthlib-1.3.0-py_0
rsa pkgs/main/noarch::rsa-4.7.2-pyhd3eb1b0_1
scipy pkgs/main/linux-64::scipy-1.7.3-py310hfa59a62_0
setuptools pkgs/main/linux-64::setuptools-61.2.0-py310h06a4308_0
six pkgs/main/noarch::six-1.16.0-pyhd3eb1b0_1
snappy pkgs/main/linux-64::snappy-1.1.9-h295c915_0
sqlite pkgs/main/linux-64::sqlite-3.39.2-h5082296_0
tensorboard /noarch::tensorboard-2.9.0-pyh7a5ff2f_0
tensorboard-data-~ pkgs/main/linux-64::tensorboard-data-server-0.6.0-py310hca6d32c_0
tensorboard-plugi~ pkgs/main/linux-64::tensorboard-plugin-wit-1.8.1-py310h06a4308_0
tensorflow /linux-64::tensorflow-2.9.0-cuda116py310h5dcf97d_0
termcolor pkgs/main/linux-64::termcolor-1.1.0-py310h06a4308_1
tk pkgs/main/linux-64::tk-8.6.12-h1ccaba5_0
typing-extensions pkgs/main/linux-64::typing-extensions-4.3.0-py310h06a4308_0
typing_extensions pkgs/main/linux-64::typing_extensions-4.3.0-py310h06a4308_0
tzdata pkgs/main/noarch::tzdata-2022a-hda174b7_0
urllib3 pkgs/main/linux-64::urllib3-1.26.11-py310h06a4308_0
wcmatch /noarch::wcmatch-8.2-pyhd8ed1ab_0
werkzeug pkgs/main/noarch::werkzeug-2.0.3-pyhd3eb1b0_0
wheel pkgs/main/noarch::wheel-0.37.1-pyhd3eb1b0_0
wrapt pkgs/main/linux-64::wrapt-1.14.1-py310h5eee18b_0
xz pkgs/main/linux-64::xz-5.2.5-h7f8727e_1
yaml pkgs/main/linux-64::yaml-0.2.5-h7b6447c_0
yarl pkgs/main/linux-64::yarl-1.6.3-py310h7f8727e_1
zipp pkgs/main/linux-64::zipp-3.8.0-py310h06a4308_0
zlib pkgs/main/linux-64::zlib-1.2.12-h7f8727e_2
Downloading and Extracting Packages
importlib-metadata-4 | 41 KB | : 100% 1.0/1 [00:00<00:00, 7.20it/s]
werkzeug-2.0.3 | 221 KB | : 100% 1.0/1 [00:00<00:00, 9.28it/s]
rsa-4.7.2 | 28 KB | : 100% 1.0/1 [00:00<00:00, 14.28it/s]
wcmatch-8.2 | 33 KB | : 100% 1.0/1 [00:00<00:00, 1.57it/s]
certifi-2022.6.15 | 153 KB | : 100% 1.0/1 [00:00<00:00, 13.45it/s]
backrefs-5.0.1 | 195 KB | : 100% 1.0/1 [00:00<00:00, 2.99it/s]
pyyaml-6.0 | 411 KB | : 100% 1.0/1 [00:00<00:00, 8.14it/s]
python-flatbuffers-2 | 34 KB | : 100% 1.0/1 [00:00<00:00, 14.17it/s]
jpeg-9e | 240 KB | : 100% 1.0/1 [00:00<00:00, 12.41it/s]
libssh2-1.10.0 | 274 KB | : 100% 1.0/1 [00:00<00:00, 10.70it/s]
pysocks-1.7.1 | 28 KB | : 100% 1.0/1 [00:00<00:00, 10.35it/s]
termcolor-1.1.0 | 8 KB | : 100% 1.0/1 [00:00<00:00, 11.57it/s]
yarl-1.6.3 | 244 KB | : 100% 1.0/1 [00:00<00:00, 6.90it/s]
tensorboard-plugin-w | 677 KB | : 100% 1.0/1 [00:00<00:00, 7.71it/s]
dataclasses-0.8 | 8 KB | : 100% 1.0/1 [00:00<00:00, 13.95it/s]
keras-2.9.0 | 962 KB | : 100% 1.0/1 [00:00<00:00, 1.49it/s]
libstdcxx-ng-11.2.0 | 4.7 MB | : 100% 1.0/1 [00:00<00:00, 5.24it/s]
c-ares-1.18.1 | 114 KB | : 100% 1.0/1 [00:00<00:00, 12.31it/s]
h5py-3.7.0 | 4.1 MB | : 100% 1.0/1 [00:00<00:00, 4.65it/s]
ld_impl_linux-64-2.3 | 654 KB | : 100% 1.0/1 [00:00<00:00, 12.08it/s]
krb5-1.19.2 | 1.2 MB | : 100% 1.0/1 [00:00<00:00, 8.88it/s]
cudnn-8.4.0.27 | 616.0 MB | : 100% 1.0/1 [02:06<00:00, 126.89s/it]
intel-openmp-2021.4. | 4.2 MB | : 100% 1.0/1 [00:00<00:00, 4.06it/s]
oauthlib-3.2.0 | 90 KB | : 100% 1.0/1 [00:00<00:00, 3.59it/s]
async-timeout-4.0.1 | 10 KB | : 100% 1.0/1 [00:00<00:00, 14.68it/s]
blas-1.0 | 6 KB | : 100% 1.0/1 [00:00<00:00, 12.68it/s]
numpy-base-1.23.1 | 14.3 MB | : 100% 1.0/1 [00:00<00:00, 1.45it/s]
attrs-21.4.0 | 51 KB | : 100% 1.0/1 [00:00<00:00, 13.68it/s]
packaging-21.3 | 36 KB | : 100% 1.0/1 [00:00<00:00, 12.17it/s]
openssl-1.1.1q | 2.5 MB | : 100% 1.0/1 [00:00<00:00, 7.06it/s]
grpcio-1.42.0 | 24.3 MB | : 100% 1.0/1 [00:02<00:00, 2.65s/it]
tensorboard-data-ser | 2.7 MB | : 100% 1.0/1 [00:00<00:00, 5.25it/s]
click-8.0.4 | 156 KB | : 100% 1.0/1 [00:00<00:00, 8.94it/s]
libcurl-7.84.0 | 337 KB | : 100% 1.0/1 [00:00<00:00, 12.17it/s]
pyasn1-0.4.8 | 54 KB | : 100% 1.0/1 [00:00<00:00, 11.78it/s]
pyjwt-2.4.0 | 19 KB | : 100% 1.0/1 [00:00<00:00, 4.50it/s]
aiosignal-1.2.0 | 12 KB | : 100% 1.0/1 [00:00<00:00, 14.55it/s]
libgfortran-ng-7.5.0 | 22 KB | : 100% 1.0/1 [00:00<00:00, 13.60it/s]
cachetools-4.2.2 | 13 KB | : 100% 1.0/1 [00:00<00:00, 14.49it/s]
snappy-1.1.9 | 636 KB | : 100% 1.0/1 [00:00<00:00, 9.39it/s]
sqlite-3.39.2 | 1.1 MB | : 100% 1.0/1 [00:00<00:00, 10.38it/s]
tensorflow-2.9.0 | 411.9 MB | : 100% 1.0/1 [01:37<00:00, 97.16s/it]
libev-4.33 | 111 KB | : 100% 1.0/1 [00:00<00:00, 11.90it/s]
mkl_random-1.2.2 | 1009 KB | : 100% 1.0/1 [00:00<00:00, 10.14it/s]
ca-certificates-2022 | 124 KB | : 100% 1.0/1 [00:00<00:00, 11.14it/s]
typing-extensions-4. | 9 KB | : 100% 1.0/1 [00:00<00:00, 11.12it/s]
cryptography-37.0.1 | 1.5 MB | : 100% 1.0/1 [00:00<00:00, 5.93it/s]
libgfortran4-7.5.0 | 995 KB | : 100% 1.0/1 [00:00<00:00, 9.16it/s]
ncurses-6.3 | 781 KB | : 100% 1.0/1 [00:00<00:00, 3.49it/s]
tk-8.6.12 | 3.0 MB | : 100% 1.0/1 [00:00<00:00, 3.78it/s]
blinker-1.4 | 21 KB | : 100% 1.0/1 [00:00<00:00, 8.90it/s]
icu-68.1 | 11.8 MB | : 100% 1.0/1 [00:00<00:00, 1.77it/s]
markdown-3.3.4 | 128 KB | : 100% 1.0/1 [00:00<00:00, 9.55it/s]
zlib-1.2.12 | 106 KB | : 100% 1.0/1 [00:00<00:00, 13.78it/s]
python-3.10.4 | 24.2 MB | : 100% 1.0/1 [00:05<00:00, 5.23s/it]
cudatoolkit-11.6.0 | 821.0 MB | : 100% 1.0/1 [02:54<00:00, 174.34s/it]
setuptools-61.2.0 | 1019 KB | : 100% 1.0/1 [00:00<00:00, 6.29it/s]
urllib3-1.26.11 | 183 KB | : 100% 1.0/1 [00:00<00:00, 9.69it/s]
_openmp_mutex-5.1 | 21 KB | : 100% 1.0/1 [00:00<00:00, 13.69it/s]
absl-py-1.0.0 | 95 KB | : 100% 1.0/1 [00:00<00:00, 3.89it/s]
gast-0.4.0 | 13 KB | : 100% 1.0/1 [00:00<00:00, 14.59it/s]
mkl_fft-1.3.1 | 567 KB | : 100% 1.0/1 [00:00<00:00, 12.36it/s]
libprotobuf-3.20.1 | 2.1 MB | : 100% 1.0/1 [00:00<00:00, 7.24it/s]
libgcc-ng-11.2.0 | 5.3 MB | : 100% 1.0/1 [00:00<00:00, 4.20it/s]
protobuf-3.20.1 | 1.3 MB | : 100% 1.0/1 [00:00<00:00, 7.49it/s]
requests-oauthlib-1. | 23 KB | : 100% 1.0/1 [00:00<00:00, 11.46it/s]
libgomp-11.2.0 | 474 KB | : 100% 1.0/1 [00:00<00:00, 12.32it/s]
libuuid-1.0.3 | 17 KB | : 100% 1.0/1 [00:00<00:00, 15.24it/s]
wrapt-1.14.1 | 81 KB | : 100% 1.0/1 [00:00<00:00, 9.84it/s]
google-auth-oauthlib | 18 KB | : 100% 1.0/1 [00:00<00:00, 14.50it/s]
brotlipy-0.7.0 | 712 KB | : 100% 1.0/1 [00:00<00:00, 8.89it/s]
deepmd-kit-2.1.4 | 1.8 MB | : 100% 1.0/1 [00:01<00:00, 1.42s/it]
typing_extensions-4. | 42 KB | : 100% 1.0/1 [00:00<00:00, 11.57it/s]
aiohttp-3.8.1 | 895 KB | : 100% 1.0/1 [00:00<00:00, 7.89it/s]
bzip2-1.0.8 | 78 KB | : 100% 1.0/1 [00:00<00:00, 15.02it/s]
nccl-2.12.12.1 | 142.9 MB | : 100% 1.0/1 [00:30<00:00, 30.54s/it]
numpy-1.23.1 | 11 KB | : 100% 1.0/1 [00:00<00:00, 14.52it/s]
tensorboard-2.9.0 | 5.3 MB | : 100% 1.0/1 [00:03<00:00, 3.03s/it]
google-pasta-0.2.0 | 46 KB | : 100% 1.0/1 [00:00<00:00, 10.85it/s]
cffi-1.15.1 | 407 KB | : 100% 1.0/1 [00:00<00:00, 6.92it/s]
scipy-1.7.3 | 43.6 MB | : 100% 1.0/1 [00:03<00:00, 3.15s/it]
abseil-cpp-20211102. | 1020 KB | : 100% 1.0/1 [00:00<00:00, 4.43it/s]
bracex-2.1.1 | 12 KB | : 100% 1.0/1 [00:00<00:00, 4.27it/s]
pyasn1-modules-0.2.8 | 72 KB | : 100% 1.0/1 [00:00<00:00, 11.55it/s]
python-hostlist-1.21 | 38 KB | : 100% 1.0/1 [00:00<00:00, 4.13it/s]
giflib-5.2.1 | 78 KB | : 100% 1.0/1 [00:00<00:00, 13.51it/s]
dargs-0.2.6 | 15 KB | : 100% 1.0/1 [00:00<00:00, 4.27it/s]
jsoncpp-1.9.4 | 150 KB | : 100% 1.0/1 [00:00<00:00, 9.51it/s]
multidict-5.1.0 | 148 KB | : 100% 1.0/1 [00:00<00:00, 8.89it/s]
mkl-2021.4.0 | 142.6 MB | : 100% 1.0/1 [00:06<00:00, 6.67s/it]
hdf5-1.10.6 | 3.7 MB | : 100% 1.0/1 [00:00<00:00, 5.54it/s]
libedit-3.1.20210910 | 166 KB | : 100% 1.0/1 [00:00<00:00, 12.69it/s]
requests-2.28.1 | 93 KB | : 100% 1.0/1 [00:00<00:00, 8.90it/s]
keras-preprocessing- | 35 KB | : 100% 1.0/1 [00:00<00:00, 13.67it/s]
opt_einsum-3.3.0 | 57 KB | : 100% 1.0/1 [00:00<00:00, 13.78it/s]
astunparse-1.6.3 | 17 KB | : 100% 1.0/1 [00:00<00:00, 13.39it/s]
zipp-3.8.0 | 15 KB | : 100% 1.0/1 [00:00<00:00, 9.63it/s]
xz-5.2.5 | 339 KB | : 100% 1.0/1 [00:00<00:00, 11.16it/s]
google-auth-2.6.0 | 83 KB | : 100% 1.0/1 [00:00<00:00, 13.49it/s]
libpng-1.6.37 | 278 KB | : 100% 1.0/1 [00:00<00:00, 12.15it/s]
pip-22.1.2 | 2.5 MB | : 100% 1.0/1 [00:00<00:00, 3.98it/s]
mkl-service-2.4.0 | 177 KB | : 100% 1.0/1 [00:00<00:00, 12.65it/s]
frozenlist-1.2.0 | 149 KB | : 100% 1.0/1 [00:00<00:00, 9.26it/s]
pyparsing-3.0.4 | 81 KB | : 100% 1.0/1 [00:00<00:00, 13.03it/s]
libnghttp2-1.46.0 | 680 KB | : 100% 1.0/1 [00:00<00:00, 7.33it/s]
Preparing transaction: \ | / - \ | / - \ | / - done
Verifying transaction: | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - done
Executing transaction: | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | By downloading and using the CUDA Toolkit conda packages, you accept the terms and conditions of the CUDA End User License Agreement (EULA): https://docs.nvidia.com/cuda/eula/index.html
/ - \ | / - \ | / - By downloading and using the cuDNN conda packages, you accept the terms and conditions of the NVIDIA cuDNN EULA -
https://docs.nvidia.com/deeplearning/cudnn/sla/index.html
\ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | / - \ | done
#
# To activate this environment, use
#
# $ conda activate deepmd
#
# To deactivate an active environment, use
#
# $ conda deactivate
In [7]:
!source `pwd`/miniconda3/bin/activate deepmd && dp -h
/content/miniconda3/envs/deepmd/lib/python3.10/site-packages/scipy/__init__.py:146: UserWarning: A NumPy version >=1.16.5 and <1.23.0 is required for this version of SciPy (detected version 1.23.1
warnings.warn(f"A NumPy version >={np_minversion} and <{np_maxversion}"
WARNING:tensorflow:From /content/miniconda3/envs/deepmd/lib/python3.10/site-packages/tensorflow/python/compat/v2_compat.py:107: 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:To get the best performance, it is recommended to adjust the number of threads by setting the environment variables OMP_NUM_THREADS, TF_INTRA_OP_PARALLELISM_THREADS, and TF_INTER_OP_PARALLELISM_THREADS.
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
/content/miniconda3/envs/deepmd/lib/python3.10/importlib/__init__.py:169: UserWarning: The NumPy module was reloaded (imported a second time). This can in some cases result in small but subtle issues and is discouraged.
_bootstrap._exec(spec, module)
usage: dp
[-h]
[--version]
{config,transfer,train,freeze,test,compress,doc-train-input,model-devi,convert-from,neighbor-stat,train-nvnmd}
...
DeePMD-kit:
A deep
learning
package for
many-body
potential
energy repr
esentation
and
molecular
dynamics
options:
-h, --help
show this
help
message and
exit
--version
show
program's
version
number and
exit
Valid subcommands:
{config,transfer,train,freeze,test,compress,doc-train-input,model-devi,convert-from,neighbor-stat,train-nvnmd}
config
fast config
uration of
parameter
file for
smooth
model
transfer
pass
parameters
to another
model
train
train a
model
freeze
freeze the
model
test
test the
model
compress
compress a
model
doc-train-input
print the d
ocumentatio
n (in rst
format) of
input
training
parameters.
model-devi
calculate
model
deviation
convert-from
convert
lower model
version to
supported
version
neighbor-stat
Calculate
neighbor
statistics
train-nvnmd
train nvnmd
model
In [8]:
!source `pwd`/miniconda3/bin/activate deepmd && dp --version
/content/miniconda3/envs/deepmd/lib/python3.10/site-packages/scipy/__init__.py:146: UserWarning: A NumPy version >=1.16.5 and <1.23.0 is required for this version of SciPy (detected version 1.23.1
warnings.warn(f"A NumPy version >={np_minversion} and <{np_maxversion}"
WARNING:tensorflow:From /content/miniconda3/envs/deepmd/lib/python3.10/site-packages/tensorflow/python/compat/v2_compat.py:107: 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:To get the best performance, it is recommended to adjust the number of threads by setting the environment variables OMP_NUM_THREADS, TF_INTRA_OP_PARALLELISM_THREADS, and TF_INTER_OP_PARALLELISM_THREADS.
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
/content/miniconda3/envs/deepmd/lib/python3.10/importlib/__init__.py:169: UserWarning: The NumPy module was reloaded (imported a second time). This can in some cases result in small but subtle issues and is discouraged.
_bootstrap._exec(spec, module)
DeePMD-kit
v2.1.4