Does the conda-forge build for v3 enable multi-backend?

[RKS-labs]

I'm planning to test the torch backend and the GNN plugin by setting up a new conda environment with conda create -n env_name deepmd-kit -c conda-forge. However, it seems that the package plan doesn't include torch-related packages. Do I have to use the offline packages as intended in the bohrium notebook to use such features, or just take some additional steps in the new conda env?

[njzjz]

Below is my execution result

conda create -n env_name deepmd-kit -c conda-forge
Retrieving notices: ...working... done
Channels:
 - conda-forge
Platform: linux-64
Collecting package metadata (repodata.json): done
Solving environment: done


==> WARNING: A newer version of conda exists. <==
    current version: 24.1.2
    latest version: 24.11.2

Please update conda by running

    $ conda update -n base -c conda-forge conda



## Package Plan ##

  environment location: /home/njzjz/anaconda3/envs/env_name

  added / updated specs:
    - deepmd-kit


The following packages will be downloaded:

    package                    |            build
    ---------------------------|-----------------
    absl-py-2.1.0              |     pyhd8ed1ab_1         105 KB  conda-forge
    annotated-types-0.7.0      |     pyhd8ed1ab_1          18 KB  conda-forge
    array-api-compat-1.10.0    |     pyhd8ed1ab_0          38 KB  conda-forge
    astunparse-1.6.3           |     pyhd8ed1ab_2          18 KB  conda-forge
    attr-2.5.1                 |       h166bdaf_1          69 KB  conda-forge
    bracex-2.2.1               |     pyhd8ed1ab_0          14 KB  conda-forge
    brotli-python-1.1.0        |  py312h2ec8cdc_2         342 KB  conda-forge
    c-ares-1.34.4              |       hb9d3cd8_0         201 KB  conda-forge
    ca-certificates-2024.12.14 |       hbcca054_0         153 KB  conda-forge
    certifi-2024.12.14         |     pyhd8ed1ab_0         158 KB  conda-forge
    cffi-1.17.1                |  py312h06ac9bb_0         288 KB  conda-forge
    charset-normalizer-3.4.1   |     pyhd8ed1ab_0          46 KB  conda-forge
    colorama-0.4.6             |     pyhd8ed1ab_1          26 KB  conda-forge
    cpython-3.12.8             |  py312hd8ed1ab_1          44 KB  conda-forge
    dargs-0.4.10               |     pyhd8ed1ab_1          28 KB  conda-forge
    deepmd-kit-3.0.1           |cpu_py312ha8b4caf_mpi_mpich_0         4.0 MB  conda-forge
    deprecated-1.2.15          |     pyhd8ed1ab_1          14 KB  conda-forge
    filelock-3.16.1            |     pyhd8ed1ab_1          17 KB  conda-forge
    flatbuffers-24.3.25        |       h59595ed_0         1.4 MB  conda-forge
    fsspec-2024.12.0           |     pyhd8ed1ab_0         135 KB  conda-forge
    gast-0.6.0                 |     pyhd8ed1ab_0          24 KB  conda-forge
    giflib-5.2.2               |       hd590300_0          75 KB  conda-forge
    gmp-6.3.0                  |       hac33072_2         449 KB  conda-forge
    gmpy2-2.1.5                |  py312h7201bc8_3         205 KB  conda-forge
    google-pasta-0.2.0         |     pyhd8ed1ab_2          48 KB  conda-forge
    greenlet-3.1.1             |  py312h2ec8cdc_1         232 KB  conda-forge
    grpcio-1.65.5              |  py312h374181b_0         878 KB  conda-forge
    h2-4.1.0                   |     pyhd8ed1ab_1          51 KB  conda-forge
    h5py-3.12.1                |nompi_py312hd203070_103         1.3 MB  conda-forge
    hdf5-1.14.4                |nompi_h2d575fe_105         3.8 MB  conda-forge
    hpack-4.0.0                |     pyhd8ed1ab_1          29 KB  conda-forge
    hyperframe-6.0.1           |     pyhd8ed1ab_1          17 KB  conda-forge
    icu-75.1                   |       he02047a_0        11.6 MB  conda-forge
    idna-3.10                  |     pyhd8ed1ab_1          49 KB  conda-forge
    importlib-metadata-8.5.0   |     pyha770c72_1          28 KB  conda-forge
    jinja2-3.1.5               |     pyhd8ed1ab_0         110 KB  conda-forge
    keras-3.7.0                |     pyh753f3f9_1         681 KB  conda-forge
    krb5-1.21.3                |       h659f571_0         1.3 MB  conda-forge
    ld_impl_linux-64-2.43      |       h712a8e2_2         654 KB  conda-forge
    libabseil-20240722.0       | cxx17_hbbce691_4         1.3 MB  conda-forge
    libaec-1.1.3               |       h59595ed_0          35 KB  conda-forge
    libblas-3.9.0              |26_linux64_openblas          16 KB  conda-forge
    libcap-2.71                |       h39aace5_0         100 KB  conda-forge
    libcblas-3.9.0             |26_linux64_openblas          16 KB  conda-forge
    libcurl-8.11.1             |       h332b0f4_0         413 KB  conda-forge
    libev-4.33                 |       hd590300_2         110 KB  conda-forge
    libfabric-1.22.0           |       ha770c72_3          13 KB  conda-forge
    libfabric1-1.22.0          |       ha594dbc_3         629 KB  conda-forge
    libgcrypt-lib-1.11.0       |       hb9d3cd8_2         572 KB  conda-forge
    libgfortran-14.2.0         |       h69a702a_1          53 KB  conda-forge
    libgfortran5-14.2.0        |       hd5240d6_1         1.4 MB  conda-forge
    libgpg-error-1.51          |       hbd13f7d_1         262 KB  conda-forge
    libgrpc-1.65.5             |       hf5c653b_0         6.9 MB  conda-forge
    libhwloc-2.11.2            |default_h0d58e46_1001         2.3 MB  conda-forge
    liblapack-3.9.0            |26_linux64_openblas          16 KB  conda-forge
    liblzma-5.6.3              |       hb9d3cd8_1         109 KB  conda-forge
    libnghttp2-1.64.0          |       h161d5f1_0         632 KB  conda-forge
    libnl-3.11.0               |       hb9d3cd8_0         724 KB  conda-forge
    libopenblas-0.3.28         |pthreads_h94d23a6_1         5.3 MB  conda-forge
    libprotobuf-5.27.5         |       h5b01275_2         2.8 MB  conda-forge
    libre2-11-2024.07.02       |       hbbce691_2         205 KB  conda-forge
    libsqlite-3.47.2           |       hee588c1_0         853 KB  conda-forge
    libssh2-1.11.1             |       hf672d98_0         297 KB  conda-forge
    libsystemd0-256.9          |       h0b6a36f_2         401 KB  conda-forge
    libtorch-2.4.1             |cpu_generic_hca457ed_2        49.4 MB  conda-forge
    libudev1-256.9             |       h9a4d06a_2         138 KB  conda-forge
    libuv-1.49.2               |       hb9d3cd8_0         864 KB  conda-forge
    libxml2-2.13.5             |       h8d12d68_1         674 KB  conda-forge
    lz4-c-1.10.0               |       h5888daf_1         163 KB  conda-forge
    markdown-3.6               |     pyhd8ed1ab_0          76 KB  conda-forge
    markdown-it-py-3.0.0       |     pyhd8ed1ab_1          63 KB  conda-forge
    markupsafe-3.0.2           |  py312h178313f_1          24 KB  conda-forge
    mdurl-0.1.2                |     pyhd8ed1ab_1          14 KB  conda-forge
    mendeleev-0.20.1           |     pyhecae5ae_0         1.1 MB  conda-forge
    ml_dtypes-0.4.0            |  py312hf9745cd_2         163 KB  conda-forge
    mpc-1.3.1                  |       h24ddda3_1         114 KB  conda-forge
    mpfr-4.2.1                 |       h90cbb55_3         620 KB  conda-forge
    mpi-1.0.1                  |            mpich           6 KB  conda-forge
    mpich-4.2.3                |     h239ebd3_102        11.5 MB  conda-forge
    mpmath-1.3.0               |     pyhd8ed1ab_1         429 KB  conda-forge
    namex-0.0.8                |     pyhd8ed1ab_1          11 KB  conda-forge
    ncurses-6.5                |       he02047a_1         868 KB  conda-forge
    networkx-3.4.2             |     pyh267e887_2         1.2 MB  conda-forge
    nomkl-1.0                  |       h5ca1d4c_0           4 KB  conda-forge
    openssl-3.4.0              |       h7b32b05_1         2.8 MB  conda-forge
    opt_einsum-3.4.0           |     pyhd8ed1ab_1          61 KB  conda-forge
    optree-0.13.1              |  py312h68727a3_1         352 KB  conda-forge
    packaging-24.2             |     pyhd8ed1ab_2          59 KB  conda-forge
    pandas-2.2.3               |  py312hf9745cd_1        14.7 MB  conda-forge
    pip-24.3.1                 |     pyh8b19718_2         1.2 MB  conda-forge
    protobuf-5.27.5            |  py312h2ec8cdc_0         443 KB  conda-forge
    pycparser-2.22             |     pyh29332c3_1         108 KB  conda-forge
    pydantic-2.10.4            |     pyh3cfb1c2_0         290 KB  conda-forge
    pydantic-core-2.27.2       |  py312h12e396e_0         1.6 MB  conda-forge
    pyfiglet-0.8.post1         |             py_0         514 KB  conda-forge
    pygments-2.18.0            |     pyhd8ed1ab_1         856 KB  conda-forge
    pysocks-1.7.1              |     pyha55dd90_7          21 KB  conda-forge
    python-3.12.8              |h9e4cc4f_1_cpython        30.1 MB  conda-forge
    python-dateutil-2.9.0.post0|     pyhff2d567_1         217 KB  conda-forge
    python-flatbuffers-24.3.25 |     pyhe33e51e_1          34 KB  conda-forge
    python-tzdata-2024.2       |     pyhd8ed1ab_1         139 KB  conda-forge
    python_abi-3.12            |          5_cp312           6 KB  conda-forge
    pytorch-2.4.1              |cpu_generic_py312h916ba9d_2        33.0 MB  conda-forge
    pytz-2024.1                |     pyhd8ed1ab_0         184 KB  conda-forge
    pyyaml-6.0.2               |  py312h66e93f0_1         202 KB  conda-forge
    rdma-core-55.0             |       h5888daf_0         1.2 MB  conda-forge
    re2-2024.07.02             |       h9925aae_2          26 KB  conda-forge
    requests-2.32.3            |     pyhd8ed1ab_1          57 KB  conda-forge
    rich-13.9.4                |     pyhd8ed1ab_1         181 KB  conda-forge
    scipy-1.15.0               |  py312h180e4f1_0        17.8 MB  conda-forge
    setuptools-75.6.0          |     pyhff2d567_1         756 KB  conda-forge
    six-1.17.0                 |     pyhd8ed1ab_0          16 KB  conda-forge
    sleef-3.7                  |       h1b44611_2         1.8 MB  conda-forge
    snappy-1.2.1               |       h8bd8927_1          42 KB  conda-forge
    sqlalchemy-2.0.36          |  py312h66e93f0_0         3.3 MB  conda-forge
    sympy-1.13.3               |   pyh2585a3b_104         4.4 MB  conda-forge
    tensorboard-2.17.1         |     pyhd8ed1ab_0         4.9 MB  conda-forge
    tensorboard-data-server-0.7.0|  py312hda17c39_2         3.4 MB  conda-forge
    tensorflow-2.17.0          |cpu_py312h69ecde4_3          42 KB  conda-forge
    tensorflow-base-2.17.0     |cpu_py312h4c54302_3       149.0 MB  conda-forge
    tensorflow-estimator-2.17.0|cpu_py312h4f468f2_3         679 KB  conda-forge
    termcolor-2.5.0            |     pyhd8ed1ab_1          12 KB  conda-forge
    typeguard-4.4.1            |     pyhd8ed1ab_1          34 KB  conda-forge
    typing-extensions-4.12.2   |       hd8ed1ab_1          10 KB  conda-forge
    typing_extensions-4.12.2   |     pyha770c72_1          39 KB  conda-forge
    tzdata-2024b               |       hc8b5060_0         119 KB  conda-forge
    ucx-1.17.0                 |       h53fb5aa_4         6.9 MB  conda-forge
    urllib3-2.3.0              |     pyhd8ed1ab_0          98 KB  conda-forge
    wcmatch-10.0               |     pyhd8ed1ab_1          37 KB  conda-forge
    werkzeug-3.1.3             |     pyhd8ed1ab_1         238 KB  conda-forge
    wheel-0.45.1               |     pyhd8ed1ab_1          61 KB  conda-forge
    wrapt-1.17.0               |  py312h66e93f0_0          62 KB  conda-forge
    zipp-3.21.0                |     pyhd8ed1ab_1          21 KB  conda-forge
    zstandard-0.23.0           |  py312hef9b889_1         410 KB  conda-forge
    zstd-1.5.6                 |       ha6fb4c9_0         542 KB  conda-forge
    ------------------------------------------------------------
                                           Total:       404.0 MB

The following NEW packages will be INSTALLED:

  _libgcc_mutex      conda-forge/linux-64::_libgcc_mutex-0.1-conda_forge
  _openmp_mutex      conda-forge/linux-64::_openmp_mutex-4.5-2_gnu
  absl-py            conda-forge/noarch::absl-py-2.1.0-pyhd8ed1ab_1
  annotated-types    conda-forge/noarch::annotated-types-0.7.0-pyhd8ed1ab_1
  array-api-compat   conda-forge/noarch::array-api-compat-1.10.0-pyhd8ed1ab_0
  astunparse         conda-forge/noarch::astunparse-1.6.3-pyhd8ed1ab_2
  attr               conda-forge/linux-64::attr-2.5.1-h166bdaf_1
  bracex             conda-forge/noarch::bracex-2.2.1-pyhd8ed1ab_0
  brotli-python      conda-forge/linux-64::brotli-python-1.1.0-py312h2ec8cdc_2
  bzip2              conda-forge/linux-64::bzip2-1.0.8-h4bc722e_7
  c-ares             conda-forge/linux-64::c-ares-1.34.4-hb9d3cd8_0
  ca-certificates    conda-forge/linux-64::ca-certificates-2024.12.14-hbcca054_0
  cached-property    conda-forge/noarch::cached-property-1.5.2-hd8ed1ab_1
  cached_property    conda-forge/noarch::cached_property-1.5.2-pyha770c72_1
  certifi            conda-forge/noarch::certifi-2024.12.14-pyhd8ed1ab_0
  cffi               conda-forge/linux-64::cffi-1.17.1-py312h06ac9bb_0
  charset-normalizer conda-forge/noarch::charset-normalizer-3.4.1-pyhd8ed1ab_0
  colorama           conda-forge/noarch::colorama-0.4.6-pyhd8ed1ab_1
  cpython            conda-forge/noarch::cpython-3.12.8-py312hd8ed1ab_1
  dargs              conda-forge/noarch::dargs-0.4.10-pyhd8ed1ab_1
  deepmd-kit         conda-forge/linux-64::deepmd-kit-3.0.1-cpu_py312ha8b4caf_mpi_mpich_0
  deprecated         conda-forge/noarch::deprecated-1.2.15-pyhd8ed1ab_1
  filelock           conda-forge/noarch::filelock-3.16.1-pyhd8ed1ab_1
  flatbuffers        conda-forge/linux-64::flatbuffers-24.3.25-h59595ed_0
  fsspec             conda-forge/noarch::fsspec-2024.12.0-pyhd8ed1ab_0
  gast               conda-forge/noarch::gast-0.6.0-pyhd8ed1ab_0
  giflib             conda-forge/linux-64::giflib-5.2.2-hd590300_0
  gmp                conda-forge/linux-64::gmp-6.3.0-hac33072_2
  gmpy2              conda-forge/linux-64::gmpy2-2.1.5-py312h7201bc8_3
  google-pasta       conda-forge/noarch::google-pasta-0.2.0-pyhd8ed1ab_2
  greenlet           conda-forge/linux-64::greenlet-3.1.1-py312h2ec8cdc_1
  grpcio             conda-forge/linux-64::grpcio-1.65.5-py312h374181b_0
  h2                 conda-forge/noarch::h2-4.1.0-pyhd8ed1ab_1
  h5py               conda-forge/linux-64::h5py-3.12.1-nompi_py312hd203070_103
  hdf5               conda-forge/linux-64::hdf5-1.14.4-nompi_h2d575fe_105
  hpack              conda-forge/noarch::hpack-4.0.0-pyhd8ed1ab_1
  hyperframe         conda-forge/noarch::hyperframe-6.0.1-pyhd8ed1ab_1
  icu                conda-forge/linux-64::icu-75.1-he02047a_0
  idna               conda-forge/noarch::idna-3.10-pyhd8ed1ab_1
  importlib-metadata conda-forge/noarch::importlib-metadata-8.5.0-pyha770c72_1
  jinja2             conda-forge/noarch::jinja2-3.1.5-pyhd8ed1ab_0
  keras              conda-forge/noarch::keras-3.7.0-pyh753f3f9_1
  keyutils           conda-forge/linux-64::keyutils-1.6.1-h166bdaf_0
  krb5               conda-forge/linux-64::krb5-1.21.3-h659f571_0
  ld_impl_linux-64   conda-forge/linux-64::ld_impl_linux-64-2.43-h712a8e2_2
  libabseil          conda-forge/linux-64::libabseil-20240722.0-cxx17_hbbce691_4
  libaec             conda-forge/linux-64::libaec-1.1.3-h59595ed_0
  libblas            conda-forge/linux-64::libblas-3.9.0-26_linux64_openblas
  libcap             conda-forge/linux-64::libcap-2.71-h39aace5_0
  libcblas           conda-forge/linux-64::libcblas-3.9.0-26_linux64_openblas
  libcurl            conda-forge/linux-64::libcurl-8.11.1-h332b0f4_0
  libedit            conda-forge/linux-64::libedit-3.1.20191231-he28a2e2_2
  libev              conda-forge/linux-64::libev-4.33-hd590300_2
  libexpat           conda-forge/linux-64::libexpat-2.6.4-h5888daf_0
  libfabric          conda-forge/linux-64::libfabric-1.22.0-ha770c72_3
  libfabric1         conda-forge/linux-64::libfabric1-1.22.0-ha594dbc_3
  libffi             conda-forge/linux-64::libffi-3.4.2-h7f98852_5
  libgcc             conda-forge/linux-64::libgcc-14.2.0-h77fa898_1
  libgcc-ng          conda-forge/linux-64::libgcc-ng-14.2.0-h69a702a_1
  libgcrypt-lib      conda-forge/linux-64::libgcrypt-lib-1.11.0-hb9d3cd8_2
  libgfortran        conda-forge/linux-64::libgfortran-14.2.0-h69a702a_1
  libgfortran5       conda-forge/linux-64::libgfortran5-14.2.0-hd5240d6_1
  libgomp            conda-forge/linux-64::libgomp-14.2.0-h77fa898_1
  libgpg-error       conda-forge/linux-64::libgpg-error-1.51-hbd13f7d_1
  libgrpc            conda-forge/linux-64::libgrpc-1.65.5-hf5c653b_0
  libhwloc           conda-forge/linux-64::libhwloc-2.11.2-default_h0d58e46_1001
  libiconv           conda-forge/linux-64::libiconv-1.17-hd590300_2
  libjpeg-turbo      conda-forge/linux-64::libjpeg-turbo-3.0.0-hd590300_1
  liblapack          conda-forge/linux-64::liblapack-3.9.0-26_linux64_openblas
  liblzma            conda-forge/linux-64::liblzma-5.6.3-hb9d3cd8_1
  libnghttp2         conda-forge/linux-64::libnghttp2-1.64.0-h161d5f1_0
  libnl              conda-forge/linux-64::libnl-3.11.0-hb9d3cd8_0
  libnsl             conda-forge/linux-64::libnsl-2.0.1-hd590300_0
  libopenblas        conda-forge/linux-64::libopenblas-0.3.28-pthreads_h94d23a6_1
  libpng             conda-forge/linux-64::libpng-1.6.44-hadc24fc_0
  libprotobuf        conda-forge/linux-64::libprotobuf-5.27.5-h5b01275_2
  libre2-11          conda-forge/linux-64::libre2-11-2024.07.02-hbbce691_2
  libsqlite          conda-forge/linux-64::libsqlite-3.47.2-hee588c1_0
  libssh2            conda-forge/linux-64::libssh2-1.11.1-hf672d98_0
  libstdcxx          conda-forge/linux-64::libstdcxx-14.2.0-hc0a3c3a_1
  libstdcxx-ng       conda-forge/linux-64::libstdcxx-ng-14.2.0-h4852527_1
  libsystemd0        conda-forge/linux-64::libsystemd0-256.9-h0b6a36f_2
  libtorch           conda-forge/linux-64::libtorch-2.4.1-cpu_generic_hca457ed_2
  libudev1           conda-forge/linux-64::libudev1-256.9-h9a4d06a_2
  libuuid            conda-forge/linux-64::libuuid-2.38.1-h0b41bf4_0
  libuv              conda-forge/linux-64::libuv-1.49.2-hb9d3cd8_0
  libxcrypt          conda-forge/linux-64::libxcrypt-4.4.36-hd590300_1
  libxml2            conda-forge/linux-64::libxml2-2.13.5-h8d12d68_1
  libzlib            conda-forge/linux-64::libzlib-1.3.1-hb9d3cd8_2
  lz4-c              conda-forge/linux-64::lz4-c-1.10.0-h5888daf_1
  markdown           conda-forge/noarch::markdown-3.6-pyhd8ed1ab_0
  markdown-it-py     conda-forge/noarch::markdown-it-py-3.0.0-pyhd8ed1ab_1
  markupsafe         conda-forge/linux-64::markupsafe-3.0.2-py312h178313f_1
  mdurl              conda-forge/noarch::mdurl-0.1.2-pyhd8ed1ab_1
  mendeleev          conda-forge/noarch::mendeleev-0.20.1-pyhecae5ae_0
  ml_dtypes          conda-forge/linux-64::ml_dtypes-0.4.0-py312hf9745cd_2
  mpc                conda-forge/linux-64::mpc-1.3.1-h24ddda3_1
  mpfr               conda-forge/linux-64::mpfr-4.2.1-h90cbb55_3
  mpi                conda-forge/noarch::mpi-1.0.1-mpich
  mpich              conda-forge/linux-64::mpich-4.2.3-h239ebd3_102
  mpmath             conda-forge/noarch::mpmath-1.3.0-pyhd8ed1ab_1
  namex              conda-forge/noarch::namex-0.0.8-pyhd8ed1ab_1
  ncurses            conda-forge/linux-64::ncurses-6.5-he02047a_1
  networkx           conda-forge/noarch::networkx-3.4.2-pyh267e887_2
  nomkl              conda-forge/noarch::nomkl-1.0-h5ca1d4c_0
  numpy              conda-forge/linux-64::numpy-1.26.4-py312heda63a1_0
  openssl            conda-forge/linux-64::openssl-3.4.0-h7b32b05_1
  opt_einsum         conda-forge/noarch::opt_einsum-3.4.0-pyhd8ed1ab_1
  optree             conda-forge/linux-64::optree-0.13.1-py312h68727a3_1
  packaging          conda-forge/noarch::packaging-24.2-pyhd8ed1ab_2
  pandas             conda-forge/linux-64::pandas-2.2.3-py312hf9745cd_1
  pip                conda-forge/noarch::pip-24.3.1-pyh8b19718_2
  protobuf           conda-forge/linux-64::protobuf-5.27.5-py312h2ec8cdc_0
  pycparser          conda-forge/noarch::pycparser-2.22-pyh29332c3_1
  pydantic           conda-forge/noarch::pydantic-2.10.4-pyh3cfb1c2_0
  pydantic-core      conda-forge/linux-64::pydantic-core-2.27.2-py312h12e396e_0
  pyfiglet           conda-forge/noarch::pyfiglet-0.8.post1-py_0
  pygments           conda-forge/noarch::pygments-2.18.0-pyhd8ed1ab_1
  pysocks            conda-forge/noarch::pysocks-1.7.1-pyha55dd90_7
  python             conda-forge/linux-64::python-3.12.8-h9e4cc4f_1_cpython
  python-dateutil    conda-forge/noarch::python-dateutil-2.9.0.post0-pyhff2d567_1
  python-flatbuffers conda-forge/noarch::python-flatbuffers-24.3.25-pyhe33e51e_1
  python-tzdata      conda-forge/noarch::python-tzdata-2024.2-pyhd8ed1ab_1
  python_abi         conda-forge/linux-64::python_abi-3.12-5_cp312
  pytorch            conda-forge/linux-64::pytorch-2.4.1-cpu_generic_py312h916ba9d_2
  pytz               conda-forge/noarch::pytz-2024.1-pyhd8ed1ab_0
  pyyaml             conda-forge/linux-64::pyyaml-6.0.2-py312h66e93f0_1
  rdma-core          conda-forge/linux-64::rdma-core-55.0-h5888daf_0
  re2                conda-forge/linux-64::re2-2024.07.02-h9925aae_2
  readline           conda-forge/linux-64::readline-8.2-h8228510_1
  requests           conda-forge/noarch::requests-2.32.3-pyhd8ed1ab_1
  rich               conda-forge/noarch::rich-13.9.4-pyhd8ed1ab_1
  scipy              conda-forge/linux-64::scipy-1.15.0-py312h180e4f1_0
  setuptools         conda-forge/noarch::setuptools-75.6.0-pyhff2d567_1
  six                conda-forge/noarch::six-1.17.0-pyhd8ed1ab_0
  sleef              conda-forge/linux-64::sleef-3.7-h1b44611_2
  snappy             conda-forge/linux-64::snappy-1.2.1-h8bd8927_1
  sqlalchemy         conda-forge/linux-64::sqlalchemy-2.0.36-py312h66e93f0_0
  sympy              conda-forge/noarch::sympy-1.13.3-pyh2585a3b_104
  tensorboard        conda-forge/noarch::tensorboard-2.17.1-pyhd8ed1ab_0
  tensorboard-data-~ conda-forge/linux-64::tensorboard-data-server-0.7.0-py312hda17c39_2
  tensorflow         conda-forge/linux-64::tensorflow-2.17.0-cpu_py312h69ecde4_3
  tensorflow-base    conda-forge/linux-64::tensorflow-base-2.17.0-cpu_py312h4c54302_3
  tensorflow-estima~ conda-forge/linux-64::tensorflow-estimator-2.17.0-cpu_py312h4f468f2_3
  termcolor          conda-forge/noarch::termcolor-2.5.0-pyhd8ed1ab_1
  tk                 conda-forge/linux-64::tk-8.6.13-noxft_h4845f30_101
  typeguard          conda-forge/noarch::typeguard-4.4.1-pyhd8ed1ab_1
  typing-extensions  conda-forge/noarch::typing-extensions-4.12.2-hd8ed1ab_1
  typing_extensions  conda-forge/noarch::typing_extensions-4.12.2-pyha770c72_1
  tzdata             conda-forge/noarch::tzdata-2024b-hc8b5060_0
  ucx                conda-forge/linux-64::ucx-1.17.0-h53fb5aa_4
  urllib3            conda-forge/noarch::urllib3-2.3.0-pyhd8ed1ab_0
  wcmatch            conda-forge/noarch::wcmatch-10.0-pyhd8ed1ab_1
  werkzeug           conda-forge/noarch::werkzeug-3.1.3-pyhd8ed1ab_1
  wheel              conda-forge/noarch::wheel-0.45.1-pyhd8ed1ab_1
  wrapt              conda-forge/linux-64::wrapt-1.17.0-py312h66e93f0_0
  yaml               conda-forge/linux-64::yaml-0.2.5-h7f98852_2
  zipp               conda-forge/noarch::zipp-3.21.0-pyhd8ed1ab_1
  zstandard          conda-forge/linux-64::zstandard-0.23.0-py312hef9b889_1
  zstd               conda-forge/linux-64::zstd-1.5.6-ha6fb4c9_0


Proceed ([y]/n)?

I could see pytorch...

[RKS-labs]

sorry, my bad. I checked for torch as if it was pypi

[RKS-labs]

okay here's another problem. I tried to run a simple training on a monometallic system, and the below exception throws. However, training on the water example and the methane example (adapted from the v2.0.3 tutorial) is okay. I suspected that the length of type_map somehow should be larger than one, and after adding a dummy element to type_map there's no more exceptions. Seems to be a bug.

[2025-01-10 05:31:07,274] DEEPMD INFO    Start to train 2000 steps.
Traceback (most recent call last):
  File "/bin/dp", line 10, in <module>
    sys.exit(main())
             ^^^^^^
  File "/lib/python3.12/site-packages/deepmd/main.py", line 927, in main
    deepmd_main(args)
  File "/lib/python3.12/site-packages/torch/distributed/elastic/multiprocessing/errors/__init__.py", line 348, in wrapper
    return f(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^
  File "/lib/python3.12/site-packages/deepmd/pt/entrypoints/main.py", line 527, in main
    train(
  File "/lib/python3.12/site-packages/deepmd/pt/entrypoints/main.py", line 360, in train
    trainer.run()
  File "/lib/python3.12/site-packages/deepmd/pt/train/training.py", line 939, in run
    step(step_id)
  File "/lib/python3.12/site-packages/deepmd/pt/train/training.py", line 696, in step
    self.optimizer.step()
  File "/lib/python3.12/site-packages/torch/optim/lr_scheduler.py", line 130, in wrapper
    return func.__get__(opt, opt.__class__)(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/lib/python3.12/site-packages/torch/optim/optimizer.py", line 484, in wrapper
    out = func(*args, **kwargs)
          ^^^^^^^^^^^^^^^^^^^^^
  File "/lib/python3.12/site-packages/torch/optim/optimizer.py", line 89, in _use_grad
    ret = func(self, *args, **kwargs)
          ^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/lib/python3.12/site-packages/torch/optim/adam.py", line 226, in step
    adam(
  File "/lib/python3.12/site-packages/torch/optim/optimizer.py", line 161, in maybe_fallback
    return func(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^
  File "/lib/python3.12/site-packages/torch/optim/adam.py", line 766, in adam
    func(
  File "/lib/python3.12/site-packages/torch/optim/adam.py", line 676, in _fused_adam
    torch._fused_adam_(
  File "/lib/python3.12/site-packages/torch/utils/_device.py", line 79, in __torch_function__
    return func(*args, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^
RuntimeError: params, grads, exp_avgs, and exp_avg_sqs must have same dtype, device, and layout