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packages.sbatch-tui: fix

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陈浩南 2024-10-10 16:17:18 +08:00
parent 7b3e855e21
commit fda4d2e864
2 changed files with 3 additions and 8 deletions
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8
packages/sbatch-tui/default.nix
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@ -1,13 +1,7 @@
{ { stdenv, cmake, pkg-config, ftxui, biu }: stdenv.mkDerivation
stdenv, lib, sbatchConfig ? null, substituteAll, runCommand,
cmake, pkg-config, ftxui, biu
}:
stdenv.mkDerivation
{ {
name = "sbatch-tui"; name = "sbatch-tui";
src = ./.; src = ./.;
preConfigure = lib.optionalString (sbatchConfig != null)
"cp ${substituteAll ({ src = ./src/device.cpp.template; } // sbatchConfig)} src/device.cpp";
buildInputs = [ ftxui biu ]; buildInputs = [ ftxui biu ];
nativeBuildInputs = [ cmake pkg-config ]; nativeBuildInputs = [ cmake pkg-config ];
} }

3
packages/sbatch-tui/src/main.cpp
View File

@ -138,7 +138,8 @@ int main()
state.job_name, state.output_file, state.vasp_version_entries[state.vasp_version_selected] state.job_name, state.output_file, state.vasp_version_entries[state.vasp_version_selected]
); );
else state.submit_command = else state.submit_command =
"sbatch --ntasks={}\n--cpus-per-task={}\n--export=ALL,OMP_NUM_THREADS={}\n--hint=nomultithread\n--job-name='{}'\n" "sbatch --ntasks={}\n--cpus-per-task={}\n"
"--export=ALL,OMP_NUM_THREADS={},OMP_STACKSIZE=512m\n--hint=nomultithread\n--job-name='{}'\n"
"--output='{}'\n--wrap=\"vasp-intel srun --mpi=pmix vasp-{}\""_f "--output='{}'\n--wrap=\"vasp-intel srun --mpi=pmix vasp-{}\""_f
( (
state.mpi_threads, state.openmp_threads, state.openmp_threads, state.job_name, state.output_file, state.mpi_threads, state.openmp_threads, state.openmp_threads, state.job_name, state.output_file,