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489a6d8866
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489a6d8866 | |||
2d8dc72c52 |
@ -96,5 +96,6 @@ inputs:
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bugs = [ "xmunet" ];
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user.users = [ "chn" "xll" "zem" "yjq" "gb" ];
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};
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powerManagement.cpuFreqGovernor = "ondemand";
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};
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}
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@ -74,8 +74,7 @@ let
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else
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''
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if [ -n "''${SLURM_JOB_ID-}" ]; then
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# srun should be in PATH
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exec mpirun ${vasp version}/bin/vasp-${variant}
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exec mpirun --bind-to none ${vasp version}/bin/vasp-${variant}
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else
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exec mpirun -np 1 ${vasp version}/bin/vasp-${variant}
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fi
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