Error of installation in computer cluster

[coffeedealer]

Hey,

I was trying to install it in the computer cluster I faced some problems.
Here the steps followed together with the final error:

1. Create a conda environment
2. Load modules gcc cmake openmpi
3. Installation as
   CONDA_OVERRIDE_CUDA=12.4 conda install -c metatensor -c conda-forge "lammps-metatomic=*=cuda*HOPPER90*openmpi*"

Error:

`(lammps-metatomic) [rurodrig@kuma2 lammps-metatomic]$ CONDA_OVERRIDE_CUDA=12.4 conda install -c metatensor -c conda-forge "lammps-metatomic=*=cuda*HOPPER90*openmpi*"
Collecting package metadata (current_repodata.json): failed

ERROR REPORT 

    Traceback (most recent call last):
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/exceptions.py", line 1082, in __call__
        return func(*args, **kwargs)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/cli/main.py", line 87, in _main
        exit_code = do_call(args, p)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/cli/conda_argparse.py", line 84, in do_call
        return getattr(module, func_name)(args, parser)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/cli/main_install.py", line 20, in execute
        install(args, parser, 'install')
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/cli/install.py", line 260, in install
        unlink_link_transaction = solver.solve_for_transaction(
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 152, in solve_for_transaction
        unlink_precs, link_precs = self.solve_for_diff(update_modifier, deps_modifier,
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 195, in solve_for_diff
        final_precs = self.solve_final_state(update_modifier, deps_modifier, prune, ignore_pinned,
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 300, in solve_final_state
        ssc = self._collect_all_metadata(ssc)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/common/io.py", line 88, in decorated
        return f(*args, **kwds)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 463, in _collect_all_metadata
        index, r = self._prepare(prepared_specs)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 1058, in _prepare
        reduced_index = get_reduced_index(self.prefix, self.channels,
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/index.py", line 291, in get_reduced_index
        push_record(record)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/index.py", line 265, in push_record
        combined_depends = record.combined_depends
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/records.py", line 340, in combined_depends
        result = {ms.name: ms for ms in MatchSpec.merge(self.depends)}
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/match_spec.py", line 478, in merge
        reduce(lambda x, y: x._merge(y, union), group) if len(group) > 1 else group[0]
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/match_spec.py", line 478, in <lambda>
        reduce(lambda x, y: x._merge(y, union), group) if len(group) > 1 else group[0]
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/match_spec.py", line 509, in _merge
        final = this_component.merge(that_component)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/match_spec.py", line 760, in merge
        raise ValueError("Incompatible component merge:\n  - %r\n  - %r"
    ValueError: Incompatible component merge:
      - 'mpi_mpich*'
      - 'mpi_mpich_*'

$ /home/rurodrig/anaconda3/bin/conda install -c metatensor -c conda-forge lammps-metatomic=*=cuda*HOPPER90*openmpi*

  environment variables:
             ACLOCAL_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_6
                          4_v3/gcc-11.4.1/cmake-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6/share/ac
                          local
     BUNDLED_DEBUGPY_PATH=/home/rurodrig/.vscode-server/extensions/ms-
                          python.debugpy-2025.10.0-linux-x64/bundled/libs/debugpy
                 CIO_TEST=<not set>
        CMAKE_PREFIX_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc:/ssoft/spack
                          /pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.
                          4.1/cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/gcc
                          -13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/cma
                          ke-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6
        CONDA_DEFAULT_ENV=lammps-metatomic
                CONDA_EXE=/home/rurodrig/anaconda3/bin/conda
      CONDA_OVERRIDE_CUDA=12.4
             CONDA_PREFIX=/home/rurodrig/anaconda3/envs/lammps-metatomic
           CONDA_PREFIX_1=/home/rurodrig/anaconda3
    CONDA_PROMPT_MODIFIER=(lammps-metatomic)
         CONDA_PYTHON_EXE=/home/rurodrig/anaconda3/bin/python
               CONDA_ROOT=/home/rurodrig/anaconda3
              CONDA_SHLVL=2
           CURL_CA_BUNDLE=<not set>
                    FPATH=/usr/share/lmod/lmod/init/ksh_funcs
          LD_LIBRARY_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/libfabric-1.21.0-sqii3ip6c5hiwuzezib5dow4mfylfk4y/lib64:/ss
                          oft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/gcc
                          -13.2.0/libfabric-1.21.0-sqii3ip6c5hiwuzezib5dow4mfylfk4y/lib:/ssoft/s
                          pack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/gcc-13.2
                          .0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/lib:/ssoft/spack/pin
                          ot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/
                          cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv/lib64:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/gcc
                          -13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/lib64:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/gcc
                          -13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/lib
        LMOD_PACKAGE_PATH=/etc/lmod
                  MANPATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/share/man:/s
                          soft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_
                          v3/gcc-11.4.1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/share/man::
               MODULEPATH=/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/share/spack/lmod/kuma-h100/linux-
                          rhel9-x86_64/openmpi/5.0.3-xwxrcsp/gcc/13.2.0:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/share/spack/lmod/kuma-h100/linux-rhel9-x86_64/
                          gcc/13.2.0:/ssoft/spack/kuma-h100_stable/share/spack/lmod/kuma-h100/li
                          nux-rhel9-x86_64/Core
                     PATH=/home/rurodrig/anaconda3/bin:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/gcc-13.2.0/openmpi-
                          5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/bin:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/cud
                          a-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv/bin:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/gcc
                          -13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/bin:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/cma
                          ke-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6/bin:/home/rurodrig/cmds:/ho
                          me/rurodrig/.vscode-server/cli/servers/Stable-6f17636121051a53c88d3e60
                          5c491d22af2ba755/server/bin/remote-
                          cli:/home/rurodrig/anaconda3/envs/lammps-metatomic/bin:/home/rurodrig/
                          anaconda3/condabin:/home/rurodrig/.local/bin:/home/rurodrig/bin:/usr/l
                          ib64/ccache:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/opt/pup
                          petlabs/bin:/home/rurodrig/.vscode-server/extensions/ms-python.debugpy
                          -2025.10.0-linux-x64/bundled/scripts/noConfigScripts:/home/rurodrig/.v
                          scode-server/data/User/globalStorage/github.copilot-chat/debugCommand
          PKG_CONFIG_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/lib/pkgconfi
                          g
       REQUESTS_CA_BUNDLE=<not set>
 SPACK_SYSTEM_CONFIG_PATH=/ssoft/spack/kuma-h100_stable/var/spack/environments/kuma-h100
            SSL_CERT_FILE=/etc/pki/ca-trust/extracted/pem/tls-ca-bundle.pem
__LMOD_REF_COUNT_ACLOCAL_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_6
                          4_v3/gcc-11.4.1/cmake-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6/share/ac
                          local:1
__LMOD_REF_COUNT_CMAKE_PREFIX_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc:1;/ssoft/spa
                          ck/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-1
                          1.4.1/cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv:1;/ssoft/spack/pino
                          t-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/g
                          cc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj:1;/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/cma
                          ke-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6:1
__LMOD_REF_COUNT_LD_LIBRARY_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/libfabric-1.21.0-sqii3ip6c5hiwuzezib5dow4mfylfk4y/lib64:1;/
                          ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/g
                          cc-13.2.0/libfabric-1.21.0-sqii3ip6c5hiwuzezib5dow4mfylfk4y/lib:1;/sso
                          ft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/gcc-
                          13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/lib:1;/ssoft/spa
                          ck/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-1
                          1.4.1/cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv/lib64:1;/ssoft/spac
                          k/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11
                          .4.1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/lib64:1;/ssoft/spack/
                          pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4
                          .1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/lib:1
 __LMOD_REF_COUNT_MANPATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/share/man:1;
                          /ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_6
                          4_v3/gcc-11.4.1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/share/man:
                          1
__LMOD_REF_COUNT_MODULEPATH=/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/share/spack/lmod/kuma-h100/linux-
                          rhel9-x86_64/openmpi/5.0.3-xwxrcsp/gcc/13.2.0:1;/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/share/spack/lmod/kuma-h100/linux-rhel9-x86_64/
                          gcc/13.2.0:1;/ssoft/spack/kuma-h100_stable/share/spack/lmod/kuma-h100/
                          linux-rhel9-x86_64/Core:1
    __LMOD_REF_COUNT_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/bin:1;/ssoft
                          /spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/g
                          cc-11.4.1/cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv/bin:1;/ssoft/sp
                          ack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-
                          11.4.1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/bin:1;/ssoft/spack/
                          pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4
                          .1/cmake-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6/bin:1;/home/rurodrig/
                          cmds:2;/home/rurodrig/.vscode-server/cli/servers/Stable-6f17636121051a
                          53c88d3e605c491d22af2ba755/server/bin/remote-
                          cli:1;/home/rurodrig/anaconda3/envs/lammps-metatomic/bin:1;/home/rurod
                          rig/anaconda3/condabin:1;/home/rurodrig/.local/bin:1;/home/rurodrig/bi
                          n:1;/usr/lib64/ccache:1;/usr/local/bin:1;/usr/bin:1;/usr/local/sbin:1;
                          /usr/sbin:1;/opt/puppetlabs/bin:1;/home/rurodrig/.vscode-
                          server/extensions/ms-python.debugpy-2025.10.0-linux-x64/bundled/script
                          s/noConfigScripts:1;/home/rurodrig/.vscode-
                          server/data/User/globalStorage/github.copilot-chat/debugCommand:1
__LMOD_REF_COUNT_PKG_CONFIG_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/lib/pkgconfi
                          g:1

     active environment : lammps-metatomic
    active env location : /home/rurodrig/anaconda3/envs/lammps-metatomic
            shell level : 2
       user config file : /home/rurodrig/.condarc
 populated config files : /home/rurodrig/.condarc
          conda version : 4.12.0
    conda-build version : 3.18.11
         python version : 3.8.3.final.0
       virtual packages : __cuda=12.4=0
                          __linux=5.14.0=0
                          __glibc=2.34=0
                          __unix=0=0
                          __archspec=1=x86_64
       base environment : /home/rurodrig/anaconda3  (writable)
      conda av data dir : /home/rurodrig/anaconda3/etc/conda
  conda av metadata url : None
           channel URLs : https://conda.anaconda.org/metatensor/linux-64
                          https://conda.anaconda.org/metatensor/noarch
                          https://conda.anaconda.org/conda-forge/linux-64
                          https://conda.anaconda.org/conda-forge/noarch
                          https://repo.anaconda.com/pkgs/main/linux-64
                          https://repo.anaconda.com/pkgs/main/noarch
                          https://repo.anaconda.com/pkgs/r/linux-64
                          https://repo.anaconda.com/pkgs/r/noarch
          package cache : /home/rurodrig/anaconda3/pkgs
                          /home/rurodrig/.conda/pkgs
       envs directories : /home/rurodrig/anaconda3/envs
                          /home/rurodrig/.conda/envs
               platform : linux-64
             user-agent : conda/4.12.0 requests/2.24.0 CPython/3.8.3 Linux/5.14.0-427.42.1.el9_4.x86_64 rhel/9.4 glibc/2.34
                UID:GID : 278790:10613
             netrc file : None
           offline mode : False


An unexpected error has occurred. Conda has prepared the above report.`

Any suggestion to fix the installation?

[Luthaf]

The error is a bit strange, referring to mpich when you asked for the openmpi build. Can you try to first run conda install "openmpi=5.0.3=external_*" in this environment to tell conda that you are using openmpi from the cluster? (https://conda-forge.org/docs/user/tipsandtricks/#using-external-message-passing-interface-mpi-libraries).

[coffeedealer]

(lammps-metatomic) [rurodrig@kuma2 rurodrig]$ conda install "openmpi=5.0.3=external_*" Collecting package metadata (current_repodata.json): done Solving environment: failed with initial frozen solve. Retrying with flexible solve.

This problem pops out

[Luthaf]

What happens after it's done with flexible solving? Also, can you share the output of conda list in this environment?

[coffeedealer]

it just stops after the flexible solving.

Here the output of conda list

`(lammps-metatomic) [rurodrig@kuma2 rurodrig]$ conda list
 packages in environment at /home/rurodrig/anaconda3/envs/lammps-metatomic:

 Name                    Version                   Build  Channel
_libgcc_mutex             0.1                 conda_forge    conda-forge
_openmp_mutex             4.5                       2_gnu    conda-forge
bzip2                     1.0.8                hda65f42_8    conda-forge
ca-certificates           2025.8.3             hbd8a1cb_0    conda-forge
ld_impl_linux-64          2.44                 h1423503_1    conda-forge
libexpat                  2.7.1                hecca717_0    conda-forge
libffi                    3.4.6                h2dba641_1    conda-forge
libgcc                    15.1.0               h767d61c_5    conda-forge
libgcc-ng                 15.1.0               h69a702a_5    conda-forge
libgomp                   15.1.0               h767d61c_5    conda-forge
liblzma                   5.8.1                hb9d3cd8_2    conda-forge
libnsl                    2.0.1                hb9d3cd8_1    conda-forge
libsqlite                 3.50.4               h0c1763c_0    conda-forge
libuuid                   2.41.1               he9a06e4_0    conda-forge
libxcrypt                 4.4.36               hd590300_1    conda-forge
libzlib                   1.3.1                hb9d3cd8_2    conda-forge
ncurses                   6.5                  h2d0b736_3    conda-forge
openssl                   3.5.2                h26f9b46_0    conda-forge
pip                       25.2               pyh8b19718_0    conda-forge
python                    3.10.18         hd6af730_0_cpython    conda-forge
readline                  8.2                  h8c095d6_2    conda-forge
setuptools                80.9.0             pyhff2d567_0    conda-forge
tk                        8.6.13          noxft_hd72426e_102    conda-forge
tzdata                    2025b                h78e105d_0    conda-forge
wheel                     0.45.1             pyhd8ed1ab_1    conda-forge`

[Luthaf]

It looks like your conda version is relatively old (from 2022), could you run conda update -n base conda and try again?

---

you can also make conda give you a warning when you have a old version with

conda config --set notify_outdated_conda true

[coffeedealer]

After a long update here the errors when retrying. Also the new conda list attached:

`(lammps-metatomic) [rurodrig@kuma2 lammps-metatomic]$ conda install "openmpi=5.0.3=external_*"
Collecting package metadata (current_repodata.json): done
Solving environment: failed with initial frozen solve. Retrying with flexible solve.
Collecting package metadata (repodata.json): - (lammpsCONDA_OVERRIDE_CUDA=12.4 conda install -c metatensor -c conda-forge "lammps-metatomic=*=cuda*HOPPER90*openmpi*"rge "lammps-metatomic=*=cuda*HOPPER90*openmpi*"
Collecting package metadata (current_repodata.json): failed

# >>>>>>>>>>>>>>>>>>>>>> ERROR REPORT <<<<<<<<<<<<<<<<<<<<<<

    Traceback (most recent call last):
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/exceptions.py", line 1082, in __call__
        return func(*args, **kwargs)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/cli/main.py", line 87, in _main
        exit_code = do_call(args, p)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/cli/conda_argparse.py", line 84, in do_call
        return getattr(module, func_name)(args, parser)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/cli/main_install.py", line 20, in execute
        install(args, parser, 'install')
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/cli/install.py", line 260, in install
        unlink_link_transaction = solver.solve_for_transaction(
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 152, in solve_for_transaction
        unlink_precs, link_precs = self.solve_for_diff(update_modifier, deps_modifier,
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 195, in solve_for_diff
        final_precs = self.solve_final_state(update_modifier, deps_modifier, prune, ignore_pinned,
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 300, in solve_final_state
        ssc = self._collect_all_metadata(ssc)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/common/io.py", line 88, in decorated
        return f(*args, **kwds)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 463, in _collect_all_metadata
        index, r = self._prepare(prepared_specs)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/solve.py", line 1058, in _prepare
        reduced_index = get_reduced_index(self.prefix, self.channels,
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/index.py", line 291, in get_reduced_index
        push_record(record)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/core/index.py", line 265, in push_record
        combined_depends = record.combined_depends
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/records.py", line 340, in combined_depends
        result = {ms.name: ms for ms in MatchSpec.merge(self.depends)}
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/match_spec.py", line 478, in merge
        reduce(lambda x, y: x._merge(y, union), group) if len(group) > 1 else group[0]
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/match_spec.py", line 478, in <lambda>
        reduce(lambda x, y: x._merge(y, union), group) if len(group) > 1 else group[0]
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/match_spec.py", line 509, in _merge
        final = this_component.merge(that_component)
      File "/home/rurodrig/anaconda3/lib/python3.8/site-packages/conda/models/match_spec.py", line 760, in merge
        raise ValueError("Incompatible component merge:\n  - %r\n  - %r"
    ValueError: Incompatible component merge:
      - 'mpi_mpich*'
      - 'mpi_mpich_*'

`$ /home/rurodrig/anaconda3/bin/conda install -c metatensor -c conda-forge lammps-metatomic=*=cuda*HOPPER90*openmpi*`

  environment variables:
             ACLOCAL_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_6
                          4_v3/gcc-11.4.1/cmake-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6/share/ac
                          local
     BUNDLED_DEBUGPY_PATH=/home/rurodrig/.vscode-server/extensions/ms-
                          python.debugpy-2025.10.0-linux-x64/bundled/libs/debugpy
                 CIO_TEST=<not set>
        CMAKE_PREFIX_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc:/ssoft/spack
                          /pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.
                          4.1/cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/gcc
                          -13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/cma
                          ke-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6
        CONDA_DEFAULT_ENV=lammps-metatomic
                CONDA_EXE=/home/rurodrig/anaconda3/bin/conda
      CONDA_OVERRIDE_CUDA=12.4
             CONDA_PREFIX=/home/rurodrig/anaconda3/envs/lammps-metatomic
           CONDA_PREFIX_1=/home/rurodrig/anaconda3
    CONDA_PROMPT_MODIFIER=(lammps-metatomic)
         CONDA_PYTHON_EXE=/home/rurodrig/anaconda3/bin/python
               CONDA_ROOT=/home/rurodrig/anaconda3
              CONDA_SHLVL=2
           CURL_CA_BUNDLE=<not set>
                    FPATH=/usr/share/lmod/lmod/init/ksh_funcs
          LD_LIBRARY_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/libfabric-1.21.0-sqii3ip6c5hiwuzezib5dow4mfylfk4y/lib64:/ss
                          oft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/gcc
                          -13.2.0/libfabric-1.21.0-sqii3ip6c5hiwuzezib5dow4mfylfk4y/lib:/ssoft/s
                          pack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/gcc-13.2
                          .0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/lib:/ssoft/spack/pin
                          ot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/
                          cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv/lib64:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/gcc
                          -13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/lib64:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/gcc
                          -13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/lib
        LMOD_PACKAGE_PATH=/etc/lmod
                  MANPATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/share/man:/s
                          soft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_
                          v3/gcc-11.4.1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/share/man::
               MODULEPATH=/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/share/spack/lmod/kuma-h100/linux-
                          rhel9-x86_64/openmpi/5.0.3-xwxrcsp/gcc/13.2.0:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/share/spack/lmod/kuma-h100/linux-rhel9-x86_64/
                          gcc/13.2.0:/ssoft/spack/kuma-h100_stable/share/spack/lmod/kuma-h100/li
                          nux-rhel9-x86_64/Core
                     PATH=/home/rurodrig/anaconda3/bin:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/gcc-13.2.0/openmpi-
                          5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/bin:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/cud
                          a-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv/bin:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/gcc
                          -13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/bin:/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/cma
                          ke-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6/bin:/home/rurodrig/cmds:/ho
                          me/rurodrig/.vscode-server/cli/servers/Stable-6f17636121051a53c88d3e60
                          5c491d22af2ba755/server/bin/remote-
                          cli:/home/rurodrig/anaconda3/envs/lammps-metatomic/bin:/home/rurodrig/
                          anaconda3/condabin:/home/rurodrig/.local/bin:/home/rurodrig/bin:/usr/l
                          ib64/ccache:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/opt/pup
                          petlabs/bin:/home/rurodrig/.vscode-server/extensions/ms-python.debugpy
                          -2025.10.0-linux-x64/bundled/scripts/noConfigScripts:/home/rurodrig/.v
                          scode-server/data/User/globalStorage/github.copilot-chat/debugCommand
          PKG_CONFIG_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/lib/pkgconfi
                          g
       REQUESTS_CA_BUNDLE=<not set>
 SPACK_SYSTEM_CONFIG_PATH=/ssoft/spack/kuma-h100_stable/var/spack/environments/kuma-h100
            SSL_CERT_FILE=/etc/pki/ca-trust/extracted/pem/tls-ca-bundle.pem
__LMOD_REF_COUNT_ACLOCAL_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_6
                          4_v3/gcc-11.4.1/cmake-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6/share/ac
                          local:1
__LMOD_REF_COUNT_CMAKE_PREFIX_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc:1;/ssoft/spa
                          ck/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-1
                          1.4.1/cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv:1;/ssoft/spack/pino
                          t-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/g
                          cc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj:1;/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4.1/cma
                          ke-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6:1
__LMOD_REF_COUNT_LD_LIBRARY_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/libfabric-1.21.0-sqii3ip6c5hiwuzezib5dow4mfylfk4y/lib64:1;/
                          ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/g
                          cc-13.2.0/libfabric-1.21.0-sqii3ip6c5hiwuzezib5dow4mfylfk4y/lib:1;/sso
                          ft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/gcc-
                          13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/lib:1;/ssoft/spa
                          ck/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-1
                          1.4.1/cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv/lib64:1;/ssoft/spac
                          k/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11
                          .4.1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/lib64:1;/ssoft/spack/
                          pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4
                          .1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/lib:1
 __LMOD_REF_COUNT_MANPATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/share/man:1;
                          /ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_6
                          4_v3/gcc-11.4.1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/share/man:
                          1
__LMOD_REF_COUNT_MODULEPATH=/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/share/spack/lmod/kuma-h100/linux-
                          rhel9-x86_64/openmpi/5.0.3-xwxrcsp/gcc/13.2.0:1;/ssoft/spack/pinot-
                          noir/kuma-h100/v2/spack/share/spack/lmod/kuma-h100/linux-rhel9-x86_64/
                          gcc/13.2.0:1;/ssoft/spack/kuma-h100_stable/share/spack/lmod/kuma-h100/
                          linux-rhel9-x86_64/Core:1
    __LMOD_REF_COUNT_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/bin:1;/ssoft
                          /spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/g
                          cc-11.4.1/cuda-12.4.1-hevc6ydw56jqswhgpyq5sy7a3466fsfv/bin:1;/ssoft/sp
                          ack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-
                          11.4.1/gcc-13.2.0-hv54pwqhzsv2gfljpsyffs4xo2u7swfj/bin:1;/ssoft/spack/
                          pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-x86_64_v3/gcc-11.4
                          .1/cmake-3.27.9-xu5ws5kqxy5ofkqxwjqko77ik76it3o6/bin:1;/home/rurodrig/
                          cmds:2;/home/rurodrig/.vscode-server/cli/servers/Stable-6f17636121051a
                          53c88d3e605c491d22af2ba755/server/bin/remote-
                          cli:1;/home/rurodrig/anaconda3/envs/lammps-metatomic/bin:1;/home/rurod
                          rig/anaconda3/condabin:1;/home/rurodrig/.local/bin:1;/home/rurodrig/bi
                          n:1;/usr/lib64/ccache:1;/usr/local/bin:1;/usr/bin:1;/usr/local/sbin:1;
                          /usr/sbin:1;/opt/puppetlabs/bin:1;/home/rurodrig/.vscode-
                          server/extensions/ms-python.debugpy-2025.10.0-linux-x64/bundled/script
                          s/noConfigScripts:1;/home/rurodrig/.vscode-
                          server/data/User/globalStorage/github.copilot-chat/debugCommand:1
__LMOD_REF_COUNT_PKG_CONFIG_PATH=/ssoft/spack/pinot-noir/kuma-h100/v2/spack/opt/spack/linux-rhel9-zen4/
                          gcc-13.2.0/openmpi-5.0.3-xwxrcsp7dv7akb6iskilfb7jxtxz5vhc/lib/pkgconfi
                          g:1

     active environment : lammps-metatomic
    active env location : /home/rurodrig/anaconda3/envs/lammps-metatomic
            shell level : 2
       user config file : /home/rurodrig/.condarc
 populated config files : /home/rurodrig/.condarc
          conda version : 4.12.0
    conda-build version : 3.18.11
         python version : 3.8.3.final.0
       virtual packages : __cuda=12.4=0
                          __linux=5.14.0=0
                          __glibc=2.34=0
                          __unix=0=0
                          __archspec=1=x86_64
       base environment : /home/rurodrig/anaconda3  (writable)
      conda av data dir : /home/rurodrig/anaconda3/etc/conda
  conda av metadata url : None
           channel URLs : https://conda.anaconda.org/metatensor/linux-64
                          https://conda.anaconda.org/metatensor/noarch
                          https://conda.anaconda.org/conda-forge/linux-64
                          https://conda.anaconda.org/conda-forge/noarch
                          https://repo.anaconda.com/pkgs/main/linux-64
                          https://repo.anaconda.com/pkgs/main/noarch
                          https://repo.anaconda.com/pkgs/r/linux-64
                          https://repo.anaconda.com/pkgs/r/noarch
          package cache : /home/rurodrig/anaconda3/pkgs
                          /home/rurodrig/.conda/pkgs
       envs directories : /home/rurodrig/anaconda3/envs
                          /home/rurodrig/.conda/envs
               platform : linux-64
             user-agent : conda/4.12.0 requests/2.32.3 CPython/3.8.3 Linux/5.14.0-427.42.1.el9_4.x86_64 rhel/9.4 glibc/2.34
                UID:GID : 278790:10613
             netrc file : None
           offline mode : False


An unexpected error has occurred. Conda has prepared the above report.

If submitted, this report will be used by core maintainers to improve
future releases of conda.
Would you like conda to send this report to the core maintainers?

[y/N]: n

No report sent. To permanently opt-out, use

    $ conda config --set report_errors false


(lammps-metatomic) [rurodrig@kuma2 lammps-metatomic]$ conda list
# packages in environment at /home/rurodrig/anaconda3/envs/lammps-metatomic:
#
# Name                    Version                   Build  Channel
_libgcc_mutex             0.1                 conda_forge    conda-forge
_openmp_mutex             4.5                       2_gnu    conda-forge
bzip2                     1.0.8                hda65f42_8    conda-forge
ca-certificates           2025.8.3             hbd8a1cb_0    conda-forge
ld_impl_linux-64          2.44                 h1423503_1    conda-forge
libexpat                  2.7.1                hecca717_0    conda-forge
libffi                    3.4.6                h2dba641_1    conda-forge
libgcc                    15.1.0               h767d61c_5    conda-forge
libgcc-ng                 15.1.0               h69a702a_5    conda-forge
libgomp                   15.1.0               h767d61c_5    conda-forge
liblzma                   5.8.1                hb9d3cd8_2    conda-forge
libnsl                    2.0.1                hb9d3cd8_1    conda-forge
libsqlite                 3.50.4               h0c1763c_0    conda-forge
libuuid                   2.41.1               he9a06e4_0    conda-forge
libxcrypt                 4.4.36               hd590300_1    conda-forge
libzlib                   1.3.1                hb9d3cd8_2    conda-forge
ncurses                   6.5                  h2d0b736_3    conda-forge
openssl                   3.5.2                h26f9b46_0    conda-forge
pip                       25.2               pyh8b19718_0    conda-forge
python                    3.10.18         hd6af730_0_cpython    conda-forge
readline                  8.2                  h8c095d6_2    conda-forge
setuptools                80.9.0             pyhff2d567_0    conda-forge
tk                        8.6.13          noxft_hd72426e_102    conda-forge
tzdata                    2025b                h78e105d_0    conda-forge
wheel                     0.45.1             pyhd8ed1ab_1    conda-forge`

[Luthaf]

There is still conda version : 4.12.0 in the output, the latest release is 25.7.0, so it looks like you are still using the old conda installation