I have installed the fair-core then tried to carry out the template calculation to check the installation.
Issue arised when carrying out the
calc = OCPCalculator(checkpoint_path=checkpoint_path)
Then I got this runtime error.
`tadd_anaconda_token: True
add_pip_as_python_dependency: True
aggressive_update_packages:
- ca-certificates
- certifi
- openssl
allow_conda_downgrades: False
allow_cycles: True
allow_non_channel_urls: False
allow_softlinks: False
allowlist_channels: []
always_copy: False
always_softlink: False
always_yes: None
anaconda_anon_usage: True
anaconda_upload: None
auto_activate_base: True
auto_stack: 0
auto_update_conda: True
bld_path:
changeps1: True
channel_alias: https://conda.anaconda.org
channel_priority: strict
channel_settings: []
channels:
- nvidia
- pytorch
- conda-forge
- defaults
client_ssl_cert: None
client_ssl_cert_key: None
clobber: False
conda_build: {}
create_default_packages: []
croot: /mifs/hakcile/apps/miniconda3/conda-bld
custom_channels:
pkgs/main: https://repo.anaconda.com
pkgs/r: https://repo.anaconda.com
pkgs/pro: https://repo.anaconda.com
custom_multichannels:
defaults:
- https://repo.anaconda.com/pkgs/main
- https://repo.anaconda.com/pkgs/r
local:
debug: False
default_channels:
- https://repo.anaconda.com/pkgs/main
- https://repo.anaconda.com/pkgs/r
default_python: 3.12
default_threads: None
denylist_channels: []
deps_modifier: not_set
dev: False
disallowed_packages: []
download_only: False
dry_run: False
enable_private_envs: False
env_prompt: ({default_env})
envs_dirs:
- /mifs/hakcile/apps/miniconda3/envs
- /home/hakcile/.conda/envs
envvars_force_uppercase: True
error_upload_url: https://conda.io/conda-post/unexpected-error
execute_threads: 1
experimental: []
extra_safety_checks: False
fetch_threads: 5
force: False
force_32bit: False
force_reinstall: False
force_remove: False
ignore_pinned: False
json: False
local_repodata_ttl: 1
migrated_channel_aliases: []
migrated_custom_channels: {}
no_lock: False
no_plugins: False
non_admin_enabled: True
notify_outdated_conda: True
number_channel_notices: 5
offline: False
override_channels_enabled: True
path_conflict: clobber
pinned_packages: []
pip_interop_enabled: False
pkgs_dirs:
- /mifs/hakcile/apps/miniconda3/pkgs
- /home/hakcile/.conda/pkgs
proxy_servers: {}
quiet: False
register_envs: True
remote_backoff_factor: 1
remote_connect_timeout_secs: 9.15
remote_max_retries: 3
remote_read_timeout_secs: 60.0
repodata_fns:
- current_repodata.json
- repodata.json
repodata_threads: None
repodata_use_zst: True
report_errors: None
reporters:
- {'backend': 'console', 'output': 'stdout', 'verbosity': 0, 'quiet': False}
restore_free_channel: False
rollback_enabled: True
root_prefix: /mifs/hakcile/apps/miniconda3
safety_checks: warn
sat_solver: pycosat
separate_format_cache: False
shortcuts: True
shortcuts_only: []
show_channel_urls: None
signing_metadata_url_base: None
solver: classic
solver_ignore_timestamps: False
ssl_verify: True
subdir: linux-64
subdirs:
- linux-64
- noarch
target_prefix_override:
trace: False
track_features: []
unsatisfiable_hints: True
unsatisfiable_hints_check_depth: 2
update_modifier: update_specs
use_index_cache: False
use_local: False
use_only_tar_bz2: None
verbosity: 0
verify_threads: 1`
# packages in environment at /mifs/hakcile/apps/miniconda3/envs/ocp-env:
#
# Name Version Build Channel
_libgcc_mutex 0.1 conda_forge conda-forge
_openmp_mutex 4.5 2_kmp_llvm conda-forge
absl-py 2.1.0 pypi_0 pypi
aiohappyeyeballs 2.4.3 pyhd8ed1ab_0 conda-forge
aiohttp 3.10.10 py310h89163eb_0 conda-forge
aioitertools 0.12.0 pypi_0 pypi
aiosignal 1.3.1 pyhd8ed1ab_0 conda-forge
annotated-types 0.7.0 pypi_0 pypi
archspec 0.2.3 pyhd8ed1ab_0 conda-forge
ase 3.22.1 pypi_0 pypi
asttokens 2.4.1 pyhd8ed1ab_0 conda-forge
async-timeout 4.0.3 pyhd8ed1ab_0 conda-forge
attrs 24.2.0 pyh71513ae_0 conda-forge
bcrypt 4.2.0 pypi_0 pypi
binutils_impl_linux-64 2.43 h4bf12b8_2 conda-forge
binutils_linux-64 2.43 h4852527_2 conda-forge
blas 2.125 mkl conda-forge
blas-devel 3.9.0 25_linux64_mkl conda-forge
blessed 1.20.0 pypi_0 pypi
boltons 24.0.0 pyhd8ed1ab_0 conda-forge
boto3 1.35.56 pypi_0 pypi
botocore 1.35.56 pypi_0 pypi
brotli-python 1.1.0 py310hf71b8c6_2 conda-forge
bzip2 1.0.8 h4bc722e_7 conda-forge
c-ares 1.32.3 h4bc722e_0 conda-forge
ca-certificates 2024.8.30 hbcca054_0 conda-forge
certifi 2024.8.30 pyhd8ed1ab_0 conda-forge
cffi 1.17.1 py310h8deb56e_0 conda-forge
charset-normalizer 3.4.0 pyhd8ed1ab_0 conda-forge
click 8.1.7 pypi_0 pypi
cloudpickle 3.1.0 pypi_0 pypi
colorama 0.4.6 pyhd8ed1ab_0 conda-forge
comm 0.2.2 pyhd8ed1ab_0 conda-forge
conda 24.9.2 py310hff52083_0 conda-forge
conda-libmamba-solver 24.9.0 pyhd8ed1ab_0 conda-forge
conda-package-handling 2.4.0 pyh7900ff3_0 conda-forge
conda-package-streaming 0.11.0 pyhd8ed1ab_0 conda-forge
contourpy 1.3.0 pypi_0 pypi
cpuonly 2.0 0 pytorch
cryptography 43.0.3 pypi_0 pypi
cuda-cudart 11.7.99 0 nvidia
cuda-cupti 11.7.101 0 nvidia
cuda-libraries 11.7.1 0 nvidia
cuda-nvrtc 11.7.99 0 nvidia
cuda-nvtx 11.7.91 0 nvidia
cuda-runtime 11.7.1 0 nvidia
cuda-version 12.6 3 nvidia
cycler 0.12.1 pypi_0 pypi
dataclasses-json 0.6.0 pypi_0 pypi
debugpy 1.8.7 py310hf71b8c6_0 conda-forge
decorator 5.1.1 pyhd8ed1ab_0 conda-forge
distro 1.9.0 pyhd8ed1ab_0 conda-forge
dnspython 2.7.0 pypi_0 pypi
docker-pycreds 0.4.0 pypi_0 pypi
e3nn 0.5.4 pypi_0 pypi
emmet-core 0.84.3rc0 pypi_0 pypi
exceptiongroup 1.2.2 pyhd8ed1ab_0 conda-forge
executing 2.1.0 pyhd8ed1ab_0 conda-forge
fairchem-applications-cattsunami 0.1.0 pypi_0 pypi
fairchem-core 1.2.0 pypi_0 pypi
fairchem-data-oc 0.1.0 pypi_0 pypi
fairchem-demo-ocpapi 0.2.0 pypi_0 pypi
ffmpeg 4.3 hf484d3e_0 pytorch
filelock 3.16.1 pyhd8ed1ab_0 conda-forge
fmt 10.2.1 h00ab1b0_0 conda-forge
fonttools 4.54.1 pypi_0 pypi
freetype 2.12.1 h267a509_2 conda-forge
frozendict 2.4.6 py310ha75aee5_0 conda-forge
frozenlist 1.5.0 py310ha75aee5_0 conda-forge
fsspec 2024.10.0 pyhff2d567_0 conda-forge
gcc_impl_linux-64 14.2.0 h6b349bd_1 conda-forge
gcc_linux-64 14.2.0 h5910c8f_5 conda-forge
gitdb 4.0.11 pypi_0 pypi
gitpython 3.1.43 pypi_0 pypi
gmp 6.3.0 hac33072_2 conda-forge
gmpy2 2.1.5 py310he8512ff_2 conda-forge
gnutls 3.6.13 h85f3911_1 conda-forge
grpcio 1.67.1 pypi_0 pypi
gxx_impl_linux-64 14.2.0 h2c03514_1 conda-forge
gxx_linux-64 14.2.0 h9423afd_5 conda-forge
h2 4.1.0 pyhd8ed1ab_0 conda-forge
hpack 4.0.0 pyh9f0ad1d_0 conda-forge
hyperframe 6.0.1 pyhd8ed1ab_0 conda-forge
icu 73.2 h59595ed_0 conda-forge
idna 3.10 pyhd8ed1ab_0 conda-forge
importlib-metadata 8.5.0 pyha770c72_0 conda-forge
inquirer 3.1.3 pypi_0 pypi
ipykernel 6.29.5 pyh3099207_0 conda-forge
ipython 8.29.0 pyh707e725_0 conda-forge
jedi 0.19.1 pyhd8ed1ab_0 conda-forge
jinja2 3.1.4 pyhd8ed1ab_0 conda-forge
jmespath 1.0.1 pypi_0 pypi
joblib 1.4.2 pyhd8ed1ab_0 conda-forge
jpeg 9e h0b41bf4_3 conda-forge
jsonlines 4.0.0 pypi_0 pypi
jsonpatch 1.33 pyhd8ed1ab_0 conda-forge
jsonpointer 3.0.0 py310hff52083_1 conda-forge
jsonschema 4.23.0 pypi_0 pypi
jsonschema-specifications 2024.10.1 pypi_0 pypi
jupyter_client 8.6.3 pyhd8ed1ab_0 conda-forge
jupyter_core 5.7.2 pyh31011fe_1 conda-forge
kernel-headers_linux-64 3.10.0 he073ed8_18 conda-forge
keyutils 1.6.1 h166bdaf_0 conda-forge
kiwisolver 1.4.7 pypi_0 pypi
krb5 1.21.3 h659f571_0 conda-forge
lame 3.100 h166bdaf_1003 conda-forge
latexcodec 3.0.0 pypi_0 pypi
lcms2 2.15 hfd0df8a_0 conda-forge
ld_impl_linux-64 2.43 h712a8e2_2 conda-forge
lerc 4.0.0 h27087fc_0 conda-forge
libarchive 3.7.4 hfca40fe_0 conda-forge
libblas 3.9.0 25_linux64_mkl conda-forge
libcblas 3.9.0 25_linux64_mkl conda-forge
libcublas 11.10.3.66 0 nvidia
libcufft 10.7.2.124 h4fbf590_0 nvidia
libcufile 1.11.1.6 0 nvidia
libcurand 10.3.7.77 0 nvidia
libcurl 8.8.0 hca28451_1 conda-forge
libcusolver 11.4.0.1 0 nvidia
libcusparse 11.7.4.91 0 nvidia
libdeflate 1.17 h0b41bf4_0 conda-forge
libedit 3.1.20191231 he28a2e2_2 conda-forge
libev 4.33 hd590300_2 conda-forge
libffi 3.4.2 h7f98852_5 conda-forge
libgcc 14.2.0 h77fa898_1 conda-forge
libgcc-devel_linux-64 14.2.0 h41c2201_101 conda-forge
libgcc-ng 14.2.0 h69a702a_1 conda-forge
libgfortran 14.2.0 h69a702a_1 conda-forge
libgfortran5 14.2.0 hd5240d6_1 conda-forge
libgomp 14.2.0 h77fa898_1 conda-forge
libhwloc 2.11.1 default_hecaa2ac_1000 conda-forge
libiconv 1.17 hd590300_2 conda-forge
liblapack 3.9.0 25_linux64_mkl conda-forge
liblapacke 3.9.0 25_linux64_mkl conda-forge
libmamba 1.5.8 had39da4_0 conda-forge
libmambapy 1.5.8 py310h39ff949_0 conda-forge
libnghttp2 1.58.0 h47da74e_1 conda-forge
libnpp 11.7.4.75 0 nvidia
libnsl 2.0.1 hd590300_0 conda-forge
libnvjpeg 11.8.0.2 0 nvidia
libpng 1.6.43 h2797004_0 conda-forge
libsanitizer 14.2.0 h2a3dede_1 conda-forge
libsodium 1.0.20 h4ab18f5_0 conda-forge
libsolv 0.7.29 ha6fb4c9_0 conda-forge
libsqlite 3.46.0 hde9e2c9_0 conda-forge
libssh2 1.11.0 h0841786_0 conda-forge
libstdcxx 14.2.0 hc0a3c3a_1 conda-forge
libstdcxx-devel_linux-64 14.2.0 h41c2201_101 conda-forge
libstdcxx-ng 14.2.0 h4852527_1 conda-forge
libtiff 4.5.0 h6adf6a1_2 conda-forge
libuuid 2.38.1 h0b41bf4_0 conda-forge
libwebp-base 1.4.0 hd590300_0 conda-forge
libxcb 1.13 h7f98852_1004 conda-forge
libxcrypt 4.4.36 hd590300_1 conda-forge
libxml2 2.12.7 hc051c1a_1 conda-forge
libzlib 1.2.13 h4ab18f5_6 conda-forge
llvm-openmp 19.1.3 h024ca30_0 conda-forge
llvmlite 0.43.0 pypi_0 pypi
lmdb 1.5.1 pypi_0 pypi
lz4-c 1.9.4 hcb278e6_0 conda-forge
lzo 2.10 hd590300_1001 conda-forge
maggma 0.70.0 pypi_0 pypi
markdown 3.7 pypi_0 pypi
markupsafe 3.0.2 py310h89163eb_0 conda-forge
marshmallow 3.23.1 pypi_0 pypi
matplotlib 3.9.2 pypi_0 pypi
matplotlib-inline 0.1.7 pyhd8ed1ab_0 conda-forge
menuinst 2.1.2 py310hff52083_1 conda-forge
mkl 2024.2.2 ha957f24_16 conda-forge
mkl-devel 2024.2.2 ha770c72_16 conda-forge
mkl-include 2024.2.2 ha957f24_16 conda-forge
mongomock 4.2.0.post1 pypi_0 pypi
monty 2024.10.21 pypi_0 pypi
mp-api 0.42.2 pypi_0 pypi
mpc 1.3.1 h24ddda3_1 conda-forge
mpfr 4.2.1 h90cbb55_3 conda-forge
mpmath 1.3.0 pyhd8ed1ab_0 conda-forge
msgpack 1.1.0 pypi_0 pypi
multidict 6.1.0 py310h89163eb_1 conda-forge
mypy-extensions 1.0.0 pypi_0 pypi
ncurses 6.5 he02047a_1 conda-forge
nest-asyncio 1.6.0 pyhd8ed1ab_0 conda-forge
nettle 3.6 he412f7d_0 conda-forge
networkx 3.4.2 pyhd8ed1ab_1 conda-forge
numba 0.60.0 pypi_0 pypi
numpy 1.26.4 pypi_0 pypi
nvidia-cublas-cu12 12.4.5.8 pypi_0 pypi
nvidia-cuda-cupti-cu12 12.4.127 pypi_0 pypi
nvidia-cuda-nvrtc-cu12 12.4.127 pypi_0 pypi
nvidia-cuda-runtime-cu12 12.4.127 pypi_0 pypi
nvidia-cudnn-cu12 9.1.0.70 pypi_0 pypi
nvidia-cufft-cu12 11.2.1.3 pypi_0 pypi
nvidia-curand-cu12 10.3.5.147 pypi_0 pypi
nvidia-cusolver-cu12 11.6.1.9 pypi_0 pypi
nvidia-cusparse-cu12 12.3.1.170 pypi_0 pypi
nvidia-nccl-cu12 2.21.5 pypi_0 pypi
nvidia-nvjitlink-cu12 12.4.127 pypi_0 pypi
nvidia-nvtx-cu12 12.4.127 pypi_0 pypi
openh264 2.1.1 h780b84a_0 conda-forge
openjpeg 2.5.0 hfec8fc6_2 conda-forge
openssl 3.3.2 hb9d3cd8_0 conda-forge
opt-einsum 3.4.0 pypi_0 pypi
opt-einsum-fx 0.1.4 pypi_0 pypi
orjson 3.10.11 pypi_0 pypi
packaging 24.1 pyhd8ed1ab_0 conda-forge
palettable 3.3.3 pypi_0 pypi
pandas 2.2.3 pypi_0 pypi
paramiko 3.5.0 pypi_0 pypi
parso 0.8.4 pyhd8ed1ab_0 conda-forge
pexpect 4.9.0 pyhd8ed1ab_0 conda-forge
pickleshare 0.7.5 py_1003 conda-forge
pillow 9.4.0 py310h023d228_1 conda-forge
pip 24.3.1 pyh8b19718_0 conda-forge
platformdirs 4.3.6 pyhd8ed1ab_0 conda-forge
plotly 5.24.1 pypi_0 pypi
pluggy 1.5.0 pyhd8ed1ab_0 conda-forge
prompt-toolkit 3.0.48 pyha770c72_0 conda-forge
propcache 0.2.0 py310ha75aee5_2 conda-forge
protobuf 5.28.3 pypi_0 pypi
psutil 6.1.0 py310ha75aee5_0 conda-forge
pthread-stubs 0.4 hb9d3cd8_1002 conda-forge
ptyprocess 0.7.0 pyhd3deb0d_0 conda-forge
pure_eval 0.2.3 pyhd8ed1ab_0 conda-forge
pybind11-abi 4 hd8ed1ab_3 conda-forge
pybtex 0.24.0 pypi_0 pypi
pycosat 0.6.6 py310h2372a71_0 conda-forge
pycparser 2.22 pyhd8ed1ab_0 conda-forge
pydantic 2.9.2 pypi_0 pypi
pydantic-core 2.23.4 pypi_0 pypi
pydantic-settings 2.6.1 pypi_0 pypi
pydash 8.0.4 pypi_0 pypi
pyg 2.5.2 py310_torch_2.0.0_cpu pyg
pygments 2.18.0 pyhd8ed1ab_0 conda-forge
pymatgen 2024.10.29 pypi_0 pypi
pymongo 4.10.1 pypi_0 pypi
pynacl 1.5.0 pypi_0 pypi
pyparsing 3.2.0 pyhd8ed1ab_1 conda-forge
pysocks 1.7.1 pyha2e5f31_6 conda-forge
python 3.10.14 hd12c33a_0_cpython conda-forge
python-dateutil 2.9.0.post0 pypi_0 pypi
python-dotenv 1.0.1 pypi_0 pypi
python-editor 1.0.4 pypi_0 pypi
python_abi 3.10 5_cp310 conda-forge
pytorch-cuda 11.7 h778d358_5 pytorch
pytorch-mutex 1.0 cpu pytorch
pytz 2024.2 pypi_0 pypi
pyyaml 6.0.2 pypi_0 pypi
pyzmq 26.2.0 py310h71f11fc_3 conda-forge
readchar 4.2.1 pypi_0 pypi
readline 8.2 h8228510_1 conda-forge
referencing 0.35.1 pypi_0 pypi
reproc 14.2.4.post0 hd590300_1 conda-forge
reproc-cpp 14.2.4.post0 h59595ed_1 conda-forge
requests 2.32.3 pyhd8ed1ab_0 conda-forge
responses 0.23.2 pypi_0 pypi
rpds-py 0.21.0 pypi_0 pypi
ruamel.yaml 0.18.6 py310ha75aee5_1 conda-forge
ruamel.yaml.clib 0.2.8 py310ha75aee5_1 conda-forge
s3transfer 0.10.3 pypi_0 pypi
scikit-learn 1.5.2 py310h27f47ee_1 conda-forge
scipy 1.14.1 py310hfcf56fc_1 conda-forge
sentinels 1.0.0 pypi_0 pypi
sentry-sdk 2.18.0 pypi_0 pypi
setproctitle 1.3.3 pypi_0 pypi
setuptools 75.3.0 pyhd8ed1ab_0 conda-forge
six 1.16.0 pyh6c4a22f_0 conda-forge
smart-open 7.0.5 pypi_0 pypi
smmap 5.0.1 pypi_0 pypi
spglib 2.5.0 pypi_0 pypi
sshtunnel 0.4.0 pypi_0 pypi
stack_data 0.6.2 pyhd8ed1ab_0 conda-forge
submitit 1.5.2 pypi_0 pypi
sympy 1.13.1 pypi_0 pypi
sysroot_linux-64 2.17 h4a8ded7_18 conda-forge
tabulate 0.9.0 pypi_0 pypi
tbb 2021.13.0 h84d6215_0 conda-forge
tenacity 8.2.3 pypi_0 pypi
tensorboard 2.18.0 pypi_0 pypi
tensorboard-data-server 0.7.2 pypi_0 pypi
threadpoolctl 3.5.0 pyhc1e730c_0 conda-forge
tk 8.6.13 noxft_h4845f30_101 conda-forge
torch 2.5.1 pypi_0 pypi
torch-cluster 1.6.3 pypi_0 pypi
torch-scatter 2.1.2 pypi_0 pypi
torch-sparse 0.6.18 pypi_0 pypi
torchaudio 2.0.2 py310_cpu pytorch
torchvision 0.15.2 py310_cpu pytorch
tornado 6.4.1 py310ha75aee5_1 conda-forge
tqdm 4.66.1 pypi_0 pypi
traitlets 5.14.3 pyhd8ed1ab_0 conda-forge
triton 3.1.0 pypi_0 pypi
truststore 0.10.0 pyhd8ed1ab_0 conda-forge
types-pyyaml 6.0.12.20240917 pypi_0 pypi
typing-extensions 4.12.2 hd8ed1ab_0 conda-forge
typing-inspect 0.9.0 pypi_0 pypi
typing_extensions 4.12.2 pyha770c72_0 conda-forge
tzdata 2024.2 pypi_0 pypi
uncertainties 3.2.2 pypi_0 pypi
urllib3 2.2.3 pyhd8ed1ab_0 conda-forge
wandb 0.18.6 pypi_0 pypi
wcwidth 0.2.13 pyhd8ed1ab_0 conda-forge
werkzeug 3.1.2 pypi_0 pypi
wheel 0.44.0 pyhd8ed1ab_0 conda-forge
wrapt 1.16.0 pypi_0 pypi
xorg-libxau 1.0.11 hb9d3cd8_1 conda-forge
xorg-libxdmcp 1.1.5 hb9d3cd8_0 conda-forge
xz 5.2.6 h166bdaf_0 conda-forge
yaml-cpp 0.8.0 h59595ed_0 conda-forge
yarl 1.16.0 py310ha75aee5_0 conda-forge
zeromq 4.3.5 h3b0a872_6 conda-forge
zipp 3.20.2 pyhd8ed1ab_0 conda-forge
zlib 1.2.13 h4ab18f5_6 conda-forge
zstandard 0.23.0 py310ha39cb0e_1 conda-forge
zstd 1.5.6 ha6fb4c9_0 conda-forge
Any help will be very appreciated thanks…