Thyre · December 9, 2025 20:33
diff --git a/GROMACS-2025.2-lmpflf-2025b_partial.log b/GROMACS-2025.2-lmpflf-2025b_partial.log
 MPI/intel/2025.2.0/impi/2021.16.1/HPL/2.3
 MPI/intel/2025.2.0/impi/2021.16.1/MUST/1.11.0
 MPI/intel/2025.2.0/impi/2021.16.1/MUST/1.11.1
 MPI/intel/2025.2.0/impi/2021.16.1/OSU-Micro-Benchmarks/7.5.1
 MPI/intel/2025.2.0/impi/2021.16.1/buildenv/default
 MPI/intel/2025.2.0/impi/2021.16.1/ecCodes/2.43.0
 MPI/intel/2025.2.0/impi/2021.16.1/imkl-FFTW/2025.2.0
 MPI/intel/2025.2.0/impi/2021.16.1/netCDF-Fortran/4.6.2
 MPI/intel/2025.2.0/impi/2021.16.1/netCDF/4.9.3
 MPI/llvm-compilers/20.1.8/MPICH/4.3.2/FFTW.MPI/3.3.10
 MPI/llvm-compilers/20.1.8/MPICH/4.3.2/HPCG/3.1
 MPI/llvm-compilers/20.1.8/MPICH/4.3.2/HPL/2.3
 MPI/llvm-compilers/20.1.8/MPICH/4.3.2/MUST/1.11.2
 MPI/llvm-compilers/20.1.8/MPICH/4.3.2/ScaLAPACK/2.2.2-fb
 MPI/llvm-compilers/20.1.8/MPICH/4.3.2/mpi4py/4.1.0
 MPI/llvm-compilers/20.1.8/OpenMPI/5.0.8/FFTW.MPI/3.3.10
 MPI/llvm-compilers/20.1.8/OpenMPI/5.0.8/GROMACS/2025.2
 MPI/llvm-compilers/20.1.8/OpenMPI/5.0.8/HPL/2.3
 MPI/llvm-compilers/20.1.8/OpenMPI/5.0.8/MUST/1.11.2
 MPI/llvm-compilers/20.1.8/OpenMPI/5.0.8/ScaLAPACK/2.2.2-fb
 MPI/llvm-compilers/20.1.8/OpenMPI/5.0.8/mpi4py/4.1.0
 /data/EasyBuild-develop/modules/all/Core:
 Advisor/2025.2.0
 CUDA/12.9.0
 CUDA/12.9.1
 GCC/14.3.0
 GCCcore/14.3.0
 Go/1.25.0
 Java/21(@Java/21.0.8)
 Java/21.0.8
 M4/1.4.20
 Nsight-Compute/2025.2.0
 OpenSSL/3
 Pandoc/3.6.2
 Perl/5.38.0
 PyCharm/2025.2.0.1
 ffnvcodec/13.0.19.0
 foss/2025b
 foss/2025.07
 foss/2025.08
 gettext/0.25
 gfbf/2025b
 gfbf/2025.07
 gompi/2025b
 gompi/2025.07
 gompi/2025.08
 iimkl/2025b
 iimkl/2025.07
 iimpi/2025b
 iimpi/2025.08
 imkl/2025.2.0
 intel-compilers/2025.2.0-CUDA-12.9.0
 intel-compilers/2025.2.0
 intel/2025b
 intel/2025.08
 ipp/2022.2.0
 lfbf/2025b
 lfoss/2025b
 llvm-compilers/20.1.8
 lmpflf/2025b
 lmpich/2025b
 lompi/2025b
 ncurses/6.5
 pkgconf/1.8.0
 zlib/1.2.13

 == 2025-12-09 21:33:36,362 modules.py:1054 INFO Checking whether Compiler/GCCcore/14.3.0/CMake/4.0.3 exists...
 == 2025-12-09 21:33:36,362 modules.py:1059 INFO Module Compiler/GCCcore/14.3.0/CMake/4.0.3 exists (found in list of available modules)
 == 2025-12-09 21:33:36,362 modules.py:1082 INFO Result for existence check of Compiler/GCCcore/14.3.0/CMake/4.0.3 module: True
 == 2025-12-09 21:33:36,362 modules.py:1054 INFO Checking whether Compiler/GCCcore/14.3.0/scikit-build-core/0.11.5 exists...
 == 2025-12-09 21:33:36,362 modules.py:1059 INFO Module Compiler/GCCcore/14.3.0/scikit-build-core/0.11.5 exists (found in list of available modules)
 == 2025-12-09 21:33:36,362 modules.py:1082 INFO Result for existence check of Compiler/GCCcore/14.3.0/scikit-build-core/0.11.5 module: True
 == 2025-12-09 21:33:36,362 modules.py:1054 INFO Checking whether Compiler/llvm-compilers/20.1.8/pybind11/3.0.0 exists...
 == 2025-12-09 21:33:36,362 modules.py:1059 INFO Module Compiler/llvm-compilers/20.1.8/pybind11/3.0.0 exists (found in list of available modules)
 == 2025-12-09 21:33:36,362 modules.py:1082 INFO Result for existence check of Compiler/llvm-compilers/20.1.8/pybind11/3.0.0 module: True
 == 2025-12-09 21:33:36,363 modules.py:1054 INFO Checking whether Compiler/GCCcore/14.3.0/Python/3.13.5 exists...
 == 2025-12-09 21:33:36,363 modules.py:1059 INFO Module Compiler/GCCcore/14.3.0/Python/3.13.5 exists (found in list of available modules)
 == 2025-12-09 21:33:36,363 modules.py:1082 INFO Result for existence check of Compiler/GCCcore/14.3.0/Python/3.13.5 module: True
 == 2025-12-09 21:33:36,363 modules.py:1054 INFO Checking whether Compiler/llvm-compilers/20.1.8/SciPy-bundle/2025.07 exists...
 == 2025-12-09 21:33:36,363 modules.py:1059 INFO Module Compiler/llvm-compilers/20.1.8/SciPy-bundle/2025.07 exists (found in list of available modules)
 == 2025-12-09 21:33:36,363 modules.py:1082 INFO Result for existence check of Compiler/llvm-compilers/20.1.8/SciPy-bundle/2025.07 module: True
 == 2025-12-09 21:33:36,363 modules.py:1054 INFO Checking whether Compiler/llvm-compilers/20.1.8/networkx/3.5 exists...
 == 2025-12-09 21:33:36,363 modules.py:1059 INFO Module Compiler/llvm-compilers/20.1.8/networkx/3.5 exists (found in list of available modules)
 == 2025-12-09 21:33:36,363 modules.py:1082 INFO Result for existence check of Compiler/llvm-compilers/20.1.8/networkx/3.5 module: True
 == 2025-12-09 21:33:36,363 modules.py:1054 INFO Checking whether MPI/llvm-compilers/20.1.8/MPICH/4.3.2/mpi4py/4.1.0 exists...
 == 2025-12-09 21:33:36,363 modules.py:1059 INFO Module MPI/llvm-compilers/20.1.8/MPICH/4.3.2/mpi4py/4.1.0 exists (found in list of available modules)
 == 2025-12-09 21:33:36,363 modules.py:1082 INFO Result for existence check of MPI/llvm-compilers/20.1.8/MPICH/4.3.2/mpi4py/4.1.0 module: True
 == 2025-12-09 21:33:36,363 modules.py:1054 INFO Checking whether Core/lmpflf/2025b exists...
 == 2025-12-09 21:33:36,363 modules.py:1061 INFO Module Core/lmpflf/2025b not found in list of available modules, checking via 'module show'...
 == 2025-12-09 21:33:36,363 run.py:518 INFO Running shell command '/usr/share/lmod/lmod/libexec/lmod python show Core/lmpflf/2025b' in /data/EasyBuild-develop/build/GROMACS/2025.2/lmpflf-2025b/gromacs-2025.2
 == 2025-12-09 21:33:36,496 run.py:632 INFO Shell command completed successfully: /usr/share/lmod/lmod/libexec/lmod python show Core/lmpflf/2025b
 == 2025-12-09 21:33:36,496 run.py:634 INFO Output of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stdout only):
 import os
 os.environ["MODULEPATH"] = "/data/EasyBuild-develop/modules/all:/data/EasyBuild-develop/modules/all/Core";
 os.environ["_ModuleTable001_"] = "X01vZHVsZVRhYmxlXyA9IHsKTVR2ZXJzaW9uID0gMywKY19yZWJ1aWxkVGltZSA9IGZhbHNlLApjX3Nob3J0VGltZSA9IGZhbHNlLApkZXB0aFQgPSB7fSwKZmFtaWx5ID0ge30sCm1UID0ge30sCm1wYXRoQSA9IHsKIi9kYXRhL0Vhc3lCdWlsZC1kZXZlbG9wL21vZHVsZXMvYWxsIiwgIi9kYXRhL0Vhc3lCdWlsZC1kZXZlbG9wL21vZHVsZXMvYWxsL0NvcmUiLAp9LApzeXN0ZW1CYXNlTVBBVEggPSAiL2RhdGEvRWFzeUJ1aWxkLWRldmVsb3AvbW9kdWxlcy9hbGw6L2RhdGEvRWFzeUJ1aWxkLWRldmVsb3AvbW9kdWxlcy9hbGwvQ29yZSIsCn0K";
 os.environ["_ModuleTable_Sz_"] = "1";
 _mlstatus = True


 Warnings and errors of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stderr only):
 -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
   /data/EasyBuild-develop/modules/all/Core/lmpflf/2025b.lua:
 -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
 help([[
 Description
 ===========
 LLVM based compiler toolchain, including MPICH for MPI support,
 OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK.


 More information
 ================
 - Homepage: https://docs.easybuild.io/common-toolchains/
 ]])
 whatis("Description: LLVM based compiler toolchain, including MPICH for MPI support,
 OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK.")
 whatis("Homepage: https://docs.easybuild.io/common-toolchains/")
 whatis("URL: https://docs.easybuild.io/common-toolchains/")
 conflict("lmpflf")
 depends_on("llvm-compilers/20.1.8")
 depends_on("MPICH/4.3.2")
 depends_on("FlexiBLAS/3.4.5")
 depends_on("FFTW/3.3.10")
 depends_on("FFTW.MPI/3.3.10")
 depends_on("ScaLAPACK/2.2.2-fb")
 setenv("EBROOTLMPFLF","/data/EasyBuild-develop/software/lmpflf/2025b")
 setenv("EBVERSIONLMPFLF","2025b")
 setenv("EBDEVELLMPFLF","/data/EasyBuild-develop/software/lmpflf/2025b/easybuild/Core-lmpflf-2025b-easybuild-devel")


 == 2025-12-09 21:33:36,496 modules.py:1082 INFO Result for existence check of Core/lmpflf/2025b module: True
 == 2025-12-09 21:33:36,499 run.py:518 INFO Running shell command '/usr/share/lmod/lmod/libexec/lmod python load lmpflf/2025b' in /data/EasyBuild-develop/build/GROMACS/2025.2/lmpflf-2025b/gromacs-2025.2
 == 2025-12-09 21:33:36,838 run.py:632 INFO Shell command completed successfully: /usr/share/lmod/lmod/libexec/lmod python load lmpflf/2025b
 == 2025-12-09 21:33:36,838 run.py:634 INFO Output of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stdout only):
 import os
 os.environ["ASAN_SYMBOLIZER_PATH"] = "/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0/bin/llvm-symbolizer";
 os.environ["__LMOD_REF_COUNT_CMAKE_LIBRARY_PATH"] = "/data/EasyBuild-develop/software/OpenSSL/3/lib64:1;/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0/lib64:1;/data/EasyBuild-develop/software/GCCcore/14.3.0/lib64:1";
 os.environ["CMAKE_LIBRARY_PATH"] = "/data/EasyBuild-develop/software/OpenSSL/3/lib64:/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0/lib64:/data/EasyBuild-develop/software/GCCcore/14.3.0/lib64";
 os.environ["__LMOD_REF_COUNT_CMAKE_PREFIX_PATH"] = "/data/EasyBuild-develop/software/ScaLAPACK/2.2.2-lmpich-2025b-fb:1;/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b:1;/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/gzip/1.14-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/OpenSSL/3:1;/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/GCCcore/14.3.0:1";
 os.environ["CMAKE_PREFIX_PATH"] = "/data/EasyBuild-develop/software/ScaLAPACK/2.2.2-lmpich-2025b-fb:/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b:/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0:/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0:/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0:/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/gzip/1.14-GCCcore-14.3.0:/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0:/data/EasyBuild-develop/software/OpenSSL/3:/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0:/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0:/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0:/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0:/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/GCCcore/14.3.0";
 os.environ["__LMOD_REF_COUNT_CPATH"] = "/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b/include:1;/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8/include:1;/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/include/flexiblas:1;/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/include:1;/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8/include:1;/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8/include:1;/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0/lib/python3.13/site-packages/z3/include:1;/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/OpenSSL/3/include:1;/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0/include/libxml2:1;/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0/include:1";
 os.environ["CPATH"] = "/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b/include:/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8/include:/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/include/flexiblas:/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/include:/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8/include:/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8/include:/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0/lib/python3.13/site-packages/z3/include:/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/OpenSSL/3/include:/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0/include/libxml2:/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0/include";
 os.environ["EBDEVELBZIP2"] = "/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-bzip2-1.0.8-easybuild-devel";
 os.environ["EBDEVELFFTW"] = "/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8/easybuild/Compiler-llvm-compilers-20.1.8-FFTW-3.3.10-easybuild-devel";
 os.environ["EBDEVELFFTWMPI"] = "/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b/easybuild/MPI-llvm-compilers-20.1.8-MPICH-4.3.2-FFTW.MPI-3.3.10-easybuild-devel";
 os.environ["EBDEVELFLEXIBLAS"] = "/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/easybuild/Compiler-llvm-compilers-20.1.8-FlexiBLAS-3.4.5-easybuild-devel";
 os.environ["EBDEVELGCCCORE"] = "/data/EasyBuild-develop/software/GCCcore/14.3.0/easybuild/Core-GCCcore-14.3.0-easybuild-devel";
 os.environ["EBDEVELGMP"] = "/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-GMP-6.3.0-easybuild-devel";
 os.environ["EBDEVELGZIP"] = "/data/EasyBuild-develop/software/gzip/1.14-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-gzip-1.14-easybuild-devel";
 os.environ["EBDEVELHWLOC"] = "/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-hwloc-2.12.1-easybuild-devel";
 os.environ["EBDEVELLIBFFI"] = "/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-libffi-3.5.1-easybuild-devel";
 os.environ["EBDEVELLIBPCIACCESS"] = "/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-libpciaccess-0.18.1-easybuild-devel";
 os.environ["EBDEVELLIBREADLINE"] = "/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-libreadline-8.2-easybuild-devel";
 os.environ["EBDEVELLIBTOMMATH"] = "/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-libtommath-1.3.0-easybuild-devel";
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 os.environ["_ModuleTable033_"] = "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";
 os.environ["_ModuleTable034_"] = "ZC1kZXZlbG9wL21vZHVsZXMvYWxsL0NvbXBpbGVyL0xMVk0vMjAuMS44IgosICIvZGF0YS9FYXN5QnVpbGQtZGV2ZWxvcC9tb2R1bGVzL2FsbC9Db21waWxlci9HQ0Njb3JlLzE0LjMuMCIsICIvZGF0YS9FYXN5QnVpbGQtZGV2ZWxvcC9tb2R1bGVzL2FsbC9Db3JlIiwgIi9kYXRhL0Vhc3lCdWlsZC1kZXZlbG9wL21vZHVsZXMvYWxsIiwKfSwKc3lzdGVtQmFzZU1QQVRIID0gIi9kYXRhL0Vhc3lCdWlsZC1kZXZlbG9wL21vZHVsZXMvYWxsOi9kYXRhL0Vhc3lCdWlsZC1kZXZlbG9wL21vZHVsZXMvYWxsL0NvcmUiLAp9Cg==";
 os.environ["_ModuleTable_Sz_"] = "34";
 _mlstatus = True


 Warnings and errors of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stderr only):

 == 2025-12-09 21:33:36,841 run.py:518 INFO Running shell command '/usr/share/lmod/lmod/libexec/lmod python load CMake/4.0.3' in /data/EasyBuild-develop/build/GROMACS/2025.2/lmpflf-2025b/gromacs-2025.2
 == 2025-12-09 21:33:37,157 run.py:632 INFO Shell command completed successfully: /usr/share/lmod/lmod/libexec/lmod python load CMake/4.0.3
 == 2025-12-09 21:33:37,157 run.py:634 INFO Output of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stdout only):
 import os
 os.environ["__LMOD_REF_COUNT_ACLOCAL_PATH"] = "/data/EasyBuild-develop/software/CMake/4.0.3-GCCcore-14.3.0/share/aclocal:1;/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/share/aclocal:1";
 os.environ["ACLOCAL_PATH"] = "/data/EasyBuild-develop/software/CMake/4.0.3-GCCcore-14.3.0/share/aclocal:/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/share/aclocal";
 os.environ["__LMOD_REF_COUNT_CMAKE_PREFIX_PATH"] = "/data/EasyBuild-develop/software/CMake/4.0.3-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/ScaLAPACK/2.2.2-lmpich-2025b-fb:1;/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b:1;/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/gzip/1.14-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/OpenSSL/3:1;/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/GCCcore/14.3.0:1";
 os.environ["CMAKE_PREFIX_PATH"] = "/data/EasyBuild-develop/software/CMake/4.0.3-GCCcore-14.3.0:/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0:/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0:/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0:/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0:/data/EasyBuild-develop/software/ScaLAPACK/2.2.2-lmpich-2025b-fb:/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b:/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0:/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0:/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0:/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/gzip/1.14-GCCcore-14.3.0:/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0:/data/EasyBuild-develop/software/OpenSSL/3:/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0:/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0:/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0:/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0:/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/GCCcore/14.3.0";
 os.environ["__LMOD_REF_COUNT_CPATH"] = "/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b/include:1;/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8/include:1;/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/include/flexiblas:1;/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/include:1;/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8/include:1;/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8/include:1;/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0/lib/python3.13/site-packages/z3/include:1;/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/OpenSSL/3/include:1;/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0/include/libxml2:1;/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0/include:1;/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0/include:1";
 os.environ["CPATH"] = "/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b/include:/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8/include:/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/include/flexiblas:/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/include:/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8/include:/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8/include:/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0/lib/python3.13/site-packages/z3/include:/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/OpenSSL/3/include:/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0/include/libxml2:/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0/include:/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0/include";
 os.environ["CURL_INCLUDES"] = "/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/include";
 os.environ["EBDEVELCMAKE"] = "/data/EasyBuild-develop/software/CMake/4.0.3-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-CMake-4.0.3-easybuild-devel";
 os.environ["EBDEVELCURL"] = "/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-cURL-8.14.1-easybuild-devel";
 os.environ["EBDEVELLIBARCHIVE"] = "/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-libarchive-3.8.1-easybuild-devel";
 os.environ["EBDEVELLIBICONV"] = "/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-libiconv-1.18-easybuild-devel";
 os.environ["EBDEVELLIBIDN2"] = "/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-libidn2-2.3.8-easybuild-devel";
 os.environ["EBDEVELLIBPSL"] = "/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-libpsl-0.21.5-easybuild-devel";
 os.environ["EBDEVELLIBUNISTRING"] = "/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-libunistring-1.3-easybuild-devel";
 os.environ["EBROOTCMAKE"] = "/data/EasyBuild-develop/software/CMake/4.0.3-GCCcore-14.3.0";
 os.environ["EBROOTCURL"] = "/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0";
 os.environ["EBROOTLIBARCHIVE"] = "/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0";
 os.environ["EBROOTLIBICONV"] = "/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0";
 os.environ["EBROOTLIBIDN2"] = "/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0";
 os.environ["EBROOTLIBPSL"] = "/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0";
 os.environ["EBROOTLIBUNISTRING"] = "/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0";
 os.environ["EBVERSIONCMAKE"] = "4.0.3";
 os.environ["EBVERSIONCURL"] = "8.14.1";
 os.environ["EBVERSIONLIBARCHIVE"] = "3.8.1";
 os.environ["EBVERSIONLIBICONV"] = "1.18";
 os.environ["EBVERSIONLIBIDN2"] = "2.3.8";
 os.environ["EBVERSIONLIBPSL"] = "0.21.5";
 os.environ["EBVERSIONLIBUNISTRING"] = "1.3";
 os.environ["__LMOD_REF_COUNT_LD_LIBRARY_PATH"] = "/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0/lib:1;/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/lib:1;/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0/lib:1;/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0/lib:1;/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0/lib:1;/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0/lib:1";
 os.environ["LD_LIBRARY_PATH"] = "/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0/lib";
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 os.environ["_ModuleTable043_"] = "L2RhdGEvRWFzeUJ1aWxkLWRldmVsb3AvbW9kdWxlcy9hbGwvQ29yZSIsCn0K";
 os.environ["_ModuleTable_Sz_"] = "43";
 _mlstatus = True


 Warnings and errors of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stderr only):

 == 2025-12-09 21:33:37,159 environment.py:95 INFO Environment variable LD_LIBRARY_PATH set to /data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/ScaLAPACK/2.2.2-lmpich-2025b-fb/lib:/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b/lib:/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8/lib:/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8/lib:/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8/lib:/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8/lib:/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0/lib/x86_64-unknown-linux-gnu:/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/OpenSSL/3/lib64:/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0/lib64:/data/EasyBuild-develop/software/GCCcore/14.3.0/lib64 (previous value: '/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0/lib:/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0/lib')
 == 2025-12-09 21:33:37,159 run.py:518 INFO Running shell command '/usr/share/lmod/lmod/libexec/lmod python load scikit-build-core/0.11.5' in /data/EasyBuild-develop/build/GROMACS/2025.2/lmpflf-2025b/gromacs-2025.2
 == 2025-12-09 21:33:37,451 run.py:632 INFO Shell command completed successfully: /usr/share/lmod/lmod/libexec/lmod python load scikit-build-core/0.11.5
 == 2025-12-09 21:33:37,451 run.py:634 INFO Output of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stdout only):
 import os
 os.environ["__LMOD_REF_COUNT_CMAKE_PREFIX_PATH"] = "/data/EasyBuild-develop/software/scikit-build-core/0.11.5-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/CMake/4.0.3-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/ScaLAPACK/2.2.2-lmpich-2025b-fb:1;/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b:1;/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8:1;/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/gzip/1.14-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/OpenSSL/3:1;/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0:1;/data/EasyBuild-develop/software/GCCcore/14.3.0:1";
 os.environ["CMAKE_PREFIX_PATH"] = "/data/EasyBuild-develop/software/scikit-build-core/0.11.5-GCCcore-14.3.0:/data/EasyBuild-develop/software/CMake/4.0.3-GCCcore-14.3.0:/data/EasyBuild-develop/software/libarchive/3.8.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/cURL/8.14.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libpsl/0.21.5-GCCcore-14.3.0:/data/EasyBuild-develop/software/libunistring/1.3-GCCcore-14.3.0:/data/EasyBuild-develop/software/libiconv/1.18-GCCcore-14.3.0:/data/EasyBuild-develop/software/libidn2/2.3.8-GCCcore-14.3.0:/data/EasyBuild-develop/software/ScaLAPACK/2.2.2-lmpich-2025b-fb:/data/EasyBuild-develop/software/FFTW.MPI/3.3.10-lmpich-2025b:/data/EasyBuild-develop/software/FFTW/3.3.10-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/FlexiBLAS/3.4.5-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/OpenBLAS/0.3.30-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/MPICH/4.3.2-llvm-compilers-20.1.8:/data/EasyBuild-develop/software/UCX/1.19.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/hwloc/2.12.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libpciaccess/0.18.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/numactl/2.0.19-GCCcore-14.3.0:/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0:/data/EasyBuild-develop/software/zstd/1.5.7-GCCcore-14.3.0:/data/EasyBuild-develop/software/lz4/1.10.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/gzip/1.14-GCCcore-14.3.0:/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/GMP/6.3.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/Python/3.13.5-GCCcore-14.3.0:/data/EasyBuild-develop/software/OpenSSL/3:/data/EasyBuild-develop/software/SQLite/3.50.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/Tcl/9.0.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libtommath/1.3.0-GCCcore-14.3.0:/data/EasyBuild-develop/software/libreadline/8.2-GCCcore-14.3.0:/data/EasyBuild-develop/software/bzip2/1.0.8-GCCcore-14.3.0:/data/EasyBuild-develop/software/ncurses/6.5-GCCcore-14.3.0:/data/EasyBuild-develop/software/libxml2/2.14.3-GCCcore-14.3.0:/data/EasyBuild-develop/software/zlib/1.3.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/XZ/5.8.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/libffi/3.5.1-GCCcore-14.3.0:/data/EasyBuild-develop/software/GCCcore/14.3.0";
 os.environ["EBDEVELSCIKITMINBUILDMINCORE"] = "/data/EasyBuild-develop/software/scikit-build-core/0.11.5-GCCcore-14.3.0/easybuild/Compiler-GCCcore-14.3.0-scikit-build-core-0.11.5-easybuild-devel";
 os.environ["EBEXTSLISTSCIKITMINBUILDMINCORE"] = "pyproject-metadata-0.9.1,pathspec-0.12.1,scikit_build_core-0.11.5";
 os.environ["EBROOTSCIKITMINBUILDMINCORE"] = "/data/EasyBuild-develop/software/scikit-build-core/0.11.5-GCCcore-14.3.0";
 os.environ["EBVERSIONSCIKITMINBUILDMINCORE"] = "0.11.5";
 os.environ["LOADEDMODULES"] = "GCCcore/14.3.0:libffi/3.5.1:XZ/5.8.1:zlib/1.3.1:libxml2/2.14.3:ncurses/6.5:bzip2/1.0.8:libreadline/8.2:libtommath/1.3.0:Tcl/9.0.1:SQLite/3.50.1:OpenSSL/3:Python/3.13.5:GMP/6.3.0:Z3/4.15.1:gzip/1.14:lz4/1.10.0:zstd/1.5.7:LLVM/20.1.8:llvm-compilers/20.1.8:numactl/2.0.19:libpciaccess/0.18.1:hwloc/2.12.1:UCX/1.19.0:MPICH/4.3.2:OpenBLAS/0.3.30:FlexiBLAS/3.4.5:FFTW/3.3.10:FFTW.MPI/3.3.10:ScaLAPACK/2.2.2-fb:lmpflf/2025b:libidn2/2.3.8:libiconv/1.18:libunistring/1.3:libpsl/0.21.5:cURL/8.14.1:libarchive/3.8.1:CMake/4.0.3:scikit-build-core/0.11.5";
 os.environ["MODULEPATH"] = "/data/EasyBuild-develop/modules/all/MPI/llvm-compilers/20.1.8/MPICH/4.3.2:/data/EasyBuild-develop/modules/all/Compiler/llvm-compilers/20.1.8:/data/EasyBuild-develop/modules/all/Compiler/LLVM/20.1.8:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0:/data/EasyBuild-develop/modules/all/Core:/data/EasyBuild-develop/modules/all";
 os.environ["__LMOD_REF_COUNT_PYTHONPATH"] = "/data/EasyBuild-develop/software/scikit-build-core/0.11.5-GCCcore-14.3.0/lib/python3.13/site-packages:1;/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0/lib/python:1;/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0/lib/python3.13/site-packages:1";
 os.environ["PYTHONPATH"] = "/data/EasyBuild-develop/software/scikit-build-core/0.11.5-GCCcore-14.3.0/lib/python3.13/site-packages:/data/EasyBuild-develop/software/LLVM/20.1.8-GCCcore-14.3.0/lib/python:/data/EasyBuild-develop/software/Z3/4.15.1-GCCcore-14.3.0/lib/python3.13/site-packages";
 os.environ["_LMFILES_"] = "/data/EasyBuild-develop/modules/all/Core/GCCcore/14.3.0.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libffi/3.5.1.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/XZ/5.8.1.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/zlib/1.3.1.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libxml2/2.14.3.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/ncurses/6.5.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/bzip2/1.0.8.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libreadline/8.2.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libtommath/1.3.0.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/Tcl/9.0.1.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/SQLite/3.50.1.lua:/data/EasyBuild-develop/modules/all/Core/OpenSSL/3.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/Python/3.13.5.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/GMP/6.3.0.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/Z3/4.15.1.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/gzip/1.14.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/lz4/1.10.0.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/zstd/1.5.7.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/LLVM/20.1.8.lua:/data/EasyBuild-develop/modules/all/Core/llvm-compilers/20.1.8.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/numactl/2.0.19.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libpciaccess/0.18.1.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/hwloc/2.12.1.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/UCX/1.19.0.lua:/data/EasyBuild-develop/modules/all/Compiler/llvm-compilers/20.1.8/MPICH/4.3.2.lua:/data/EasyBuild-develop/modules/all/Compiler/llvm-compilers/20.1.8/OpenBLAS/0.3.30.lua:/data/EasyBuild-develop/modules/all/Compiler/llvm-compilers/20.1.8/FlexiBLAS/3.4.5.lua:/data/EasyBuild-develop/modules/all/Compiler/llvm-compilers/20.1.8/FFTW/3.3.10.lua:/data/EasyBuild-develop/modules/all/MPI/llvm-compilers/20.1.8/MPICH/4.3.2/FFTW.MPI/3.3.10.lua:/data/EasyBuild-develop/modules/all/MPI/llvm-compilers/20.1.8/MPICH/4.3.2/ScaLAPACK/2.2.2-fb.lua:/data/EasyBuild-develop/modules/all/Core/lmpflf/2025b.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libidn2/2.3.8.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libiconv/1.18.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libunistring/1.3.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libpsl/0.21.5.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/cURL/8.14.1.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/libarchive/3.8.1.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/CMake/4.0.3.lua:/data/EasyBuild-develop/modules/all/Compiler/GCCcore/14.3.0/scikit-build-core/0.11.5.lua";
 os.environ["_ModuleTable001_"] = "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";
 os.environ["_ModuleTable002_"] = "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";
 os.environ["_ModuleTable003_"] = "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";
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 os.environ["_ModuleTable040_"] = "ICIzLjEzLjUiLAp9LAp9LAp7CnNuID0gIkNNYWtlIiwKdmVyc2lvbiA9IHsKa2luZCA9ICJmaXhlZCIsCnZhbHVlID0gIjQuMC4zIiwKfSwKfSwKfSwKfSwKZm4gPSAiL2RhdGEvRWFzeUJ1aWxkLWRldmVsb3AvbW9kdWxlcy9hbGwvQ29tcGlsZXIvR0NDY29yZS8xNC4zLjAvc2Npa2l0LWJ1aWxkLWNvcmUvMC4xMS41Lmx1YSIsCmZ1bGxOYW1lID0gInNjaWtpdC1idWlsZC1jb3JlLzAuMTEuNSIsCmxvYWRPcmRlciA9IDM5LApwcm9wVCA9IHt9LApzdGFja0RlcHRoID0gMCwKc3RhdHVzID0gImFjdGl2ZSIsCnVzZXJOYW1lID0gInNjaWtpdC1idWlsZC1jb3JlLzAuMTEuNSIsCndWID0gIjAwMDAwMDAwMC4wMDAwMDAwMTEuMDAwMDAwMDA1Lip6ZmluYWwiLAp9LAp6bGliID0g";
 os.environ["_ModuleTable041_"] = "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";
 os.environ["_ModuleTable042_"] = "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";
 os.environ["_ModuleTable043_"] = "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";
 os.environ["_ModuleTable044_"] = "YXN5QnVpbGQtZGV2ZWxvcC9tb2R1bGVzL2FsbCIsCn0sCnN5c3RlbUJhc2VNUEFUSCA9ICIvZGF0YS9FYXN5QnVpbGQtZGV2ZWxvcC9tb2R1bGVzL2FsbDovZGF0YS9FYXN5QnVpbGQtZGV2ZWxvcC9tb2R1bGVzL2FsbC9Db3JlIiwKfQo=";
 os.environ["_ModuleTable_Sz_"] = "44";
 _mlstatus = True


 Warnings and errors of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stderr only):

 == 2025-12-09 21:33:37,453 run.py:518 INFO Running shell command '/usr/share/lmod/lmod/libexec/lmod python load pybind11/3.0.0' in /data/EasyBuild-develop/build/GROMACS/2025.2/lmpflf-2025b/gromacs-2025.2
 == 2025-12-09 21:33:38,437 run.py:636 WARNING Shell command FAILED (exit code 1): /usr/share/lmod/lmod/libexec/lmod python load pybind11/3.0.0
 == 2025-12-09 21:33:38,437 run.py:637 INFO Output of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stdout only):
 _mlstatus = False


 Warnings and errors of '/usr/share/lmod/lmod/libexec/lmod ...' shell command (stderr only):
 Lmod has detected the following error: These module(s) or extension(s) exist but cannot be loaded as requested: "Boost/1.88.0"
   Try: "module spider Boost/1.88.0" to see how to load the module(s).




 == 2025-12-09 21:33:38,469 build_log.py:233 ERROR EasyBuild encountered an error: Module command '/usr/share/lmod/lmod/libexec/lmod python load pybind11/3.0.0' failed with exit code 1; stderr: Lmod has detected the following error: These module(s) or extension(s) exist but cannot be loaded as requested: "Boost/1.88.0"
   Try: "module spider Boost/1.88.0" to see how to load the module(s).



 ; stdout: _mlstatus = False
 (at easybuild/tools/modules.py:1276 in run_module)
 Callstack:
 	easybuild/tools/modules.py:1276 in run_module
 	easybuild/tools/modules.py:1131 in load
 	easybuild/tools/toolchain/toolchain.py:706 in _load_dependencies_modules
 	easybuild/tools/toolchain/toolchain.py:757 in _load_modules
 	easybuild/tools/toolchain/toolchain.py:904 in prepare
 	easybuild/framework/easyblock.py:3001 in prepare_step
 	easybuild/easyblocks/g/gromacs.py:173 in prepare_step
 	easybuild/framework/easyblock.py:4750 in run_step
 	easybuild/framework/easyblock.py:4909 in run_all_steps
 	easybuild/easyblocks/g/gromacs.py:810 in run_all_steps
 	easybuild/framework/easyblock.py:5096 in build_and_install_one
 	easybuild/main.py:178 in build_and_install_software
 	easybuild/main.py:611 in process_eb_args
 	easybuild/main.py:793 in main
 	easybuild/main.py:841 in main_with_hooks
 	easybuild/main.py:855 in <module>
 == 2025-12-09 21:33:38,469 build_log.py:329 INFO ... (took 2 secs)
 == 2025-12-09 21:33:38,472 filetools.py:2152 INFO Removing lock /data/EasyBuild-develop/software/.locks/_data_EasyBuild-develop_software_GROMACS_2025.2-lmpflf-2025b.lock...
 == 2025-12-09 21:33:38,472 filetools.py:423 INFO Path /data/EasyBuild-develop/software/.locks/_data_EasyBuild-develop_software_GROMACS_2025.2-lmpflf-2025b.lock successfully removed.
 == 2025-12-09 21:33:38,472 filetools.py:2156 INFO Lock removed: /data/EasyBuild-develop/software/.locks/_data_EasyBuild-develop_software_GROMACS_2025.2-lmpflf-2025b.lock
 == 2025-12-09 21:33:38,472 easyblock.py:389 INFO Closing log for application name GROMACS version 2025.2
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