[CP2K-user] [CP2K:20536] Problem with conda

Matteo mafar1310 at gmail.com
Thu Aug 8 09:49:36 UTC 2024


I tried to install CP2K with anaconda 3
I used the command 
conda install conda-forge::cp2k

If I run a AIMD that on another machine works I have this error:

At line 2328 of file 
/home/conda/feedstock_root/build_artifacts/cp2k_1723006687988/work/build/src/qs_dispersion_pairpot.F 
(unit = 1, file = '/home/matteo/anaconda3/share/cp2k/data')
Fortran runtime error: End of file

Error termination. Backtrace:
#0  0x148c208a0ad1 in list_formatted_read_scalar
        at ../../../libgfortran/io/list_read.c:2378
#1  0x148c220f6b60 in dftd3_c6_param
        at 
/usr/local/src/conda/cp2k-2024.2/build/src/qs_dispersion_pairpot.F:2328
#2  0x148c2210bf3b in __qs_dispersion_pairpot_MOD_qs_dispersion_pairpot_init
        at 
/usr/local/src/conda/cp2k-2024.2/build/src/qs_dispersion_pairpot.F:172
#3  0x148c22154839 in qs_init_subsys
        at /usr/local/src/conda/cp2k-2024.2/build/src/qs_environment.F:1263
#4  0x148c22155914 in __qs_environment_MOD_qs_init
        at /usr/local/src/conda/cp2k-2024.2/build/src/qs_environment.F:367
#5  0x148c21450576 in __f77_interface_MOD_create_force_env
        at /usr/local/src/conda/cp2k-2024.2/build/src/f77_interface.F:808
#6  0x148c2389ab91 in cp2k_run
        at /usr/local/src/conda/cp2k-2024.2/build/src/start/cp2k_runs.F:313
#7  0x148c2389f520 in __cp2k_runs_MOD_run_input
        at /usr/local/src/conda/cp2k-2024.2/build/src/start/cp2k_runs.F:968
#8  0x563e4ce7fa16 in cp2k
        at /usr/local/src/conda/cp2k-2024.2/src/start/cp2k.F:379
#9  0x563e4ce7e070 in main
        at /usr/local/src/conda/cp2k-2024.2/src/start/cp2k.F:44
How can I solve it ?
It is a cluster with Fedora installed.

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