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This commit is contained in:
陈浩南 2024-06-20 10:08:01 +08:00
parent 35253cff0a
commit cd5838c5ef
5 changed files with 327 additions and 186 deletions
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3
local/pkgs/chn-bsub/.clangd Normal file
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@ -0,0 +1,3 @@
CompileFlags:
Add: [ -Wall, -Wextra, -std=c++23 ]
Compiler: g++

1
local/pkgs/chn-bsub/.envrc Normal file
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use flake .#chn-bsub

3
local/pkgs/chn-bsub/CMakeLists.txt
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@ -13,11 +13,12 @@ find_package(ftxui REQUIRED)
find_package(Boost REQUIRED COMPONENTS filesystem iostreams)
find_package(range-v3 REQUIRED)
find_package(biu REQUIRED)
find_package(nlohmann_json REQUIRED)
add_executable(chn-bsub src/main.cpp)
target_compile_features(chn-bsub PUBLIC cxx_std_23)
target_link_libraries(chn-bsub PRIVATE fmt::fmt ftxui::screen ftxui::dom ftxui::component Boost::filesystem
range-v3::range-v3 biu::biu)
range-v3::range-v3 biu::biu nlohmann_json::nlohmann_json)
install(TARGETS chn-bsub RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR})

4
local/pkgs/chn-bsub/default.nix
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@ -1,12 +1,12 @@
{
stdenv, lib, sbatchConfig ? null, substituteAll, runCommand,
cmake, pkg-config, ftxui, biu
cmake, pkg-config, ftxui, biu, nlohmann_json
}:
stdenv.mkDerivation
{
name = "chn-bsub";
src = ./.;
buildInputs = [ ftxui biu ];
buildInputs = [ ftxui biu nlohmann_json ];
nativeBuildInputs = [ cmake pkg-config ];
postInstall = "ln -s chn-bsub $out/bin/chn_bsub";
}

502
local/pkgs/chn-bsub/src/main.cpp
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@ -3,200 +3,336 @@
# include <ftxui/component/component.hpp>
# include <ftxui/component/component_options.hpp>
# include <ftxui/component/screen_interactive.hpp>
# include <ftxui/dom/table.hpp>
# include <boost/process.hpp>
# include <boost/algorithm/string.hpp>
# include <range/v3/range.hpp>
# include <range/v3/view.hpp>
# include <nlohmann/json.hpp>
# include <biu.hpp>
using namespace biu::literals;
int main()
{
// 需要绑定到界面上的变量
struct
{
std::array<int, 3> vasp_version_selected = {0, 0, 0};
std::vector<std::string> vasp_version_entries_level1 = {"640", "631"};
std::map<std::string, std::vector<std::string>> vasp_version_entries_level2 =
{
{"640", {"(default)", "fixc", "optcell_vtst_wannier90", "shmem", "vtst"}},
{"631", {"shmem"}}
};
std::vector<std::string> vasp_version_entries_level3 = {"std", "gam", "ncl"};
// 需要绑定到界面上的变量
struct
{
std::array<int, 3> vasp_version_selected = { 0, 0, 0 };
std::vector<std::string> vasp_version_entries_level1 = { "640", "631" };
std::map<std::string, std::vector<std::string>> vasp_version_entries_level2 =
{
{ "640", { "(default)", "fixc", "optcell_vtst_wannier90", "shmem", "vtst" }},
{ "631", { "shmem" } }
};
std::vector<std::string> vasp_version_entries_level3 = { "std", "gam", "ncl" };
int queue_selected = 0;
std::vector<std::string> queue_entries =
{
"normal_1day", "normal_1week", "normal",
"normal_1day_new", "ocean_530_1day", "ocean6226R_1day"
};
std::map<std::string, std::size_t> max_cores =
{
{"normal_1day", 28}, {"normal_1week", 28}, {"normal", 20},
{"normal_1day_new", 24}, {"ocean_530_1day", 24}, {"ocean6226R_1day", 32}
};
std::string ncores = "";
std::string job_name = []
{
// /data/gpfs01/jykang/linwei/chn/lammps-SiC
std::vector<std::string> paths;
boost::split(paths, std::filesystem::current_path().string(),
boost::is_any_of("/"));
if (paths.size() < 7)
return "my-great-job"s;
else
return paths[5] + "_" + paths.back();
}();
std::string bsub = "";
std::string user_command = "";
} state;
int queue_selected = 0;
std::vector<std::string> queue_entries =
{
"normal_1day", "normal_1day_new", "ocean_530_1day", "ocean6226R_1day",
"normal_1week", "normal_2week", "normal"
};
std::atomic<bool> queue_detail_show = false;
std::map<std::string, std::string> queue_hosts =
{
{ "normal_1day", "normal_1day" },
{ "normal_1day_new", "charge_s_normal" },
{ "ocean_530_1day", "hd_sd530" },
{ "ocean6226R_1day", "hd_sd530_6226R" },
{ "normal_1week", "normal_1week" },
{ "normal_2week", "b_node" },
{ "normal", "cnodes" }
};
std::map<std::string, std::string> queue_timelimit =
{
{ "normal_1day", "1 day" },
{ "normal_1day_new", "1 day" },
{ "ocean_530_1day", "1 day" },
{ "ocean6226R_1day", "1 day" },
{ "normal_1week", "7 day" },
{ "normal_2week", "14 day" },
{ "normal", "14 day" }
};
std::optional<std::vector<std::vector<std::string>>> queue_detail = [this]
-> std::optional<std::vector<std::vector<std::string>>>
{
std::vector<std::vector<std::string>> result;
result.push_back({ "number of nodes (total/busy/free)" });
for (auto& queue : queue_entries)
{
if
(
auto result = biu::exec<{.SearchPath=true}>
("bhosts", { "-o", "hname max run", "-json", queue_hosts[queue] });
!result
)
return std::nullopt;
else
{
auto json = nlohmann::json::parse(result.Stdout);
auto total = json["HOSTS"].get<std::size_t>();
auto records = json["RECORDS"].get<std::vector<nlohmann::json>>();
auto busy = (records
| ranges::views::filter
([](auto& record){ return record["RUN"].template get<std::size_t>() > 0; })).size();
auto free = total - busy;
}
}
return result;
}();
std::string ncores = "";
std::string job_name = []
{
// /data/gpfs01/jykang/linwei/chn/lammps-SiC
std::vector<std::string> paths;
boost::split(paths, std::filesystem::current_path().string(), boost::is_any_of("/"));
if (paths.size() < 7) return "my-great-job"s;
else return paths[5] + "_" + paths.back();
}();
std::string bsub = "";
std::string user_command = "";
} state;
// 为组件增加标题栏
auto component_with_title = [](std::string title, ftxui::Component component)
{
return ftxui::Renderer(component, [title, component]
{
return ftxui::vbox
({
ftxui::text(title) | ftxui::bgcolor(ftxui::Color::Blue),
component->Render(),
ftxui::separator()
});
});
};
// 为组件增加标题栏和分割线
auto with_title = [](std::string title)
{
return [title](ftxui::Element element)
{
return ftxui::vbox
(ftxui::text(title) | ftxui::bgcolor(ftxui::Color::Blue), element, ftxui::separatorLight());
};
};
// 为组件增加空白以填充界面
auto with_padding = [](ftxui::Element element) -> ftxui::Element
{
auto empty = ftxui::emptyElement() | ftxui::flex_grow;
return ftxui::vbox(empty, ftxui::hbox(empty, element | ftxui::center, empty), empty);
};
// 在组件左边增加分割线
auto with_separator = [](ftxui::Element element)
{ return ftxui::hbox(ftxui::separatorLight(), element); };
// 在组件左边增加小标题
auto with_subtitle = [](std::string title)
{ return [title](ftxui::Element element) { return ftxui::hbox(ftxui::text(title), element); }; };
// 构建界面, 需要至少 25 行 47 列
auto screen = ftxui::ScreenInteractive::Fullscreen();
auto request_interface = [&state, &screen, &component_with_title]
{
auto vasp_version_level1 = ftxui::Menu
(&state.vasp_version_entries_level1, &state.vasp_version_selected[0])
| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 8);
std::vector<ftxui::Component> vasp_version_level2_children;
for (auto& i : state.vasp_version_entries_level1)
vasp_version_level2_children.push_back(ftxui::Menu
(
&state.vasp_version_entries_level2[i],
&state.vasp_version_selected[1]
));
auto vasp_version_level2 = ftxui::Container::Tab
(
vasp_version_level2_children,
&state.vasp_version_selected[0]
) | ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 27);
auto vasp_version_level3 = ftxui::Menu
(&state.vasp_version_entries_level3, &state.vasp_version_selected[2])
| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 8);
auto vasp_version = component_with_title("Select vasp version:",
ftxui::Container::Horizontal
({vasp_version_level1, vasp_version_level2, vasp_version_level3})
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 5));
auto queue = component_with_title("Select queue:",
ftxui::Menu(&state.queue_entries, &state.queue_selected)
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 6));
auto ncores = component_with_title("Input cores you want to use:",
ftxui::Input(&state.ncores, "(leave blank to use all cores)"))
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 3);
auto job_name = component_with_title("Job name:",
ftxui::Input(&state.job_name, ""))
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 3);
auto continue_button = ftxui::Button("Continue",
[&]{state.user_command = "continue"; screen.ExitLoopClosure()();});
auto quit_button = ftxui::Button("Quit",
[&]{state.user_command = "quit"; screen.ExitLoopClosure()();});
return ftxui::Container::Vertical
({
vasp_version, queue, ncores, job_name,
ftxui::Container::Horizontal({continue_button, quit_button})
}) | ftxui::borderHeavy
| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 47)
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 24);
}();
auto confirm_interface = [&state, &screen, &component_with_title]
{
ftxui::InputOption input_option;
input_option.multiline = true;
return ftxui::Container::Vertical
({
component_with_title
(
"Double check & modify submit command:",
ftxui::Input(&state.bsub, "", input_option)
)
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 7),
ftxui::Container::Horizontal
({
ftxui::Button("Submit",
[&]{state.user_command = "submit"; screen.ExitLoopClosure()();}),
ftxui::Button("Quit",
[&]{state.user_command = "quit"; screen.ExitLoopClosure()();}),
ftxui::Button("Back",
[&]{state.user_command = "back"; screen.ExitLoopClosure()();})
}),
ftxui::Renderer([]{return ftxui::vbox
({
ftxui::separator(),
ftxui::text("Source code:"),
ftxui::text("https://github.com/CHN-beta/chn_bsub.git"),
ftxui::text("Star & PR are welcome!"),
});})
}) | ftxui::borderHeavy
| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 47)
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 14);
}();
// 构建界面
auto screen = ftxui::ScreenInteractive::Fullscreen();
auto request_interface = ftxui::Container::Vertical
({
ftxui::Container::Horizontal
({
ftxui::Menu(&state.vasp_version_entries_level1, &state.vasp_version_selected[0]),
ftxui::Container::Tab
(
{
ftxui::Menu(&state.vasp_version_entries_level2[0], &state.vasp_version_selected[1]),
ftxui::Menu(&state.vasp_version_entries_level2[1], &state.vasp_version_selected[1])
},
&state.vasp_version_selected[0]
) | with_separator,
ftxui::Menu(&state.vasp_version_entries_level3, &state.vasp_version_selected[2]) | with_separator
}) | with_title("VASP version"),
ftxui::Container::Horizontal
({
ftxui::Menu(&state.queue_entries, &state.queue_selected) | with_title("Queue\n"),
ftxui::Table
(
state.queue_detail
| ranges::views::transform([](auto& line){ line | ranges::views::transform([](auto& text){ return ftxui::text() }) })
})
// 实际投递任务
auto submit = [](std::string bsub)
{
// replace \n with space
boost::replace_all(bsub, "\n", " ");
auto process = boost::process::child
(
boost::process::search_path("sh"), "-c", bsub,
boost::process::std_in.close(),
boost::process::std_out > stdout,
boost::process::std_err > stderr
);
process.wait();
};
// 进入事件循环
while (true)
{
screen.Loop(request_interface);
if (state.user_command == "quit")
return EXIT_FAILURE;
else if (state.user_command != "continue")
throw std::runtime_error("user_command is not recognized");
state.bsub = fmt::format
(
"bsub -J '{}'\n-q {}\n-n {}\n-R 'span[hosts=1]'\n-o 'output.txt'\nchn_vasp.sh {}",
state.job_name,
state.queue_entries[state.queue_selected],
state.ncores.empty() ? state.max_cores[state.queue_entries[state.queue_selected]] :
std::stoi(state.ncores),
[&]
{
auto version_level1 = state.vasp_version_entries_level1[state.vasp_version_selected[0]];
auto version_level2 = state.vasp_version_entries_level2[version_level1]
[state.vasp_version_selected[1]];
auto version_level3 = state.vasp_version_entries_level3[state.vasp_version_selected[2]];
return fmt::format
(
"{}{}_{}",
version_level1,
version_level2 == "(default)" ? ""s : "_" + version_level2,
version_level3
);
}()
);
screen.Loop(confirm_interface);
if (state.user_command == "quit")
return EXIT_FAILURE;
else if (state.user_command == "back")
continue;
else if (state.user_command != "submit")
throw std::runtime_error("user_command is not recognized");
submit(state.bsub);
break;
}
std::vector<ftxui::Component> vasp_version_level2_children;
for (auto& i : state.vasp_version_entries_level1)
vasp_version_level2_children.push_back(ftxui::Menu
(
&state.vasp_version_entries_level2[i],
&state.vasp_version_selected[1]
));
auto vasp_version_level2 = ftxui::Container::Tab
(
vasp_version_level2_children,
&state.vasp_version_selected[0]
) | ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 27);
})
ftxui::Menu(&state.vasp_version_entries, &state.vasp_version_selected)
| with_title("Select VASP version:"),
ftxui::Container::Horizontal
({
ftxui::Menu(&state.device_type_entries, &state.device_type_selected),
ftxui::Container::Vertical([&]
{
std::vector<std::shared_ptr<ftxui::ComponentBase>> devices;
auto checkbox_option = ftxui::CheckboxOption::Simple();
checkbox_option.transform = [](const ftxui::EntryState& s)
{
auto prefix = ftxui::text(s.state ? "[X] " : "[ ] ");
auto t = ftxui::text(s.label);
if (s.active) t |= ftxui::bold;
if (s.focused) t |= ftxui::inverted;
return ftxui::hbox({prefix, t});
};
for (int i = 0; i < state.device_selected.size(); i++)
devices.push_back(ftxui::Checkbox
(state.device_entries[i], &state.device_selected[i], checkbox_option));
return devices;
}()) | with_separator | ftxui::Maybe([&]{ return state.device_type_selected == 1; }),
ftxui::Container::Vertical
({
ftxui::Input(&state.mpi_threads) | ftxui::size(ftxui::WIDTH, ftxui::GREATER_THAN, 3)
| with_subtitle("MPI threads: "),
ftxui::Input(&state.openmp_threads) | ftxui::size(ftxui::WIDTH, ftxui::GREATER_THAN, 3)
| with_subtitle("OpenMP threads: ")
}) | with_separator | ftxui::Maybe([&]{ return state.device_type_selected == 2; }),
}) | with_title("Select device:"),
ftxui::Input(&state.job_name) | with_title("Job name:"),
ftxui::Input(&state.output_file) | with_title("Output file:"),
ftxui::Container::Horizontal
({
ftxui::Button("Continue",
[&]{ state.user_command = "continue"; screen.ExitLoopClosure()(); }),
ftxui::Button("Quit",
[&]{ state.user_command = "quit"; screen.ExitLoopClosure()(); })
})
}) | ftxui::borderHeavy | with_padding;
[&state, &screen]
{
auto vasp_version_level1 = ftxui::Menu
(&state.vasp_version_entries_level1, &state.vasp_version_selected[0])
| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 8);
std::vector<ftxui::Component> vasp_version_level2_children;
for (auto& i : state.vasp_version_entries_level1)
vasp_version_level2_children.push_back(ftxui::Menu
(
&state.vasp_version_entries_level2[i],
&state.vasp_version_selected[1]
));
auto vasp_version_level2 = ftxui::Container::Tab
(
vasp_version_level2_children,
&state.vasp_version_selected[0]
) | ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 27);
auto vasp_version_level3 = ftxui::Menu
(&state.vasp_version_entries_level3, &state.vasp_version_selected[2])
| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 8);
auto vasp_version = component_with_title("Select vasp version:",
ftxui::Container::Horizontal
({vasp_version_level1, vasp_version_level2, vasp_version_level3})
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 5));
auto queue = component_with_title("Select queue:",
ftxui::Menu(&state.queue_entries, &state.queue_selected)
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 6));
auto ncores = component_with_title("Input cores you want to use:",
ftxui::Input(&state.ncores, "(leave blank to use all cores)"))
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 3);
auto job_name = component_with_title("Job name:",
ftxui::Input(&state.job_name, ""))
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 3);
auto continue_button = ftxui::Button("Continue",
[&]{state.user_command = "continue"; screen.ExitLoopClosure()();});
auto quit_button = ftxui::Button("Quit",
[&]{state.user_command = "quit"; screen.ExitLoopClosure()();});
return ftxui::Container::Vertical
({
vasp_version, queue, ncores, job_name,
ftxui::Container::Horizontal({continue_button, quit_button})
}) | ftxui::borderHeavy
| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 47)
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 24);
}();
auto confirm_interface = [&state, &screen, &component_with_title]
{
ftxui::InputOption input_option;
input_option.multiline = true;
return ftxui::Container::Vertical
({
component_with_title
(
"Double check & modify submit command:",
ftxui::Input(&state.bsub, "", input_option)
)
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 7),
ftxui::Container::Horizontal
({
ftxui::Button("Submit",
[&]{state.user_command = "submit"; screen.ExitLoopClosure()();}),
ftxui::Button("Quit",
[&]{state.user_command = "quit"; screen.ExitLoopClosure()();}),
ftxui::Button("Back",
[&]{state.user_command = "back"; screen.ExitLoopClosure()();})
}),
ftxui::Renderer([]{return ftxui::vbox
({
ftxui::separator(),
ftxui::text("Source code:"),
ftxui::text("https://github.com/CHN-beta/chn_bsub.git"),
ftxui::text("Star & PR are welcome!"),
});})
}) | ftxui::borderHeavy
| ftxui::size(ftxui::WIDTH, ftxui::EQUAL, 47)
| ftxui::size(ftxui::HEIGHT, ftxui::EQUAL, 14);
}();
// 实际投递任务
auto submit = [](std::string bsub)
{
// replace \n with space
boost::replace_all(bsub, "\n", " ");
auto process = boost::process::child
(
boost::process::search_path("sh"), "-c", bsub,
boost::process::std_in.close(),
boost::process::std_out > stdout,
boost::process::std_err > stderr
);
process.wait();
};
// 进入事件循环
while (true)
{
screen.Loop(request_interface);
if (state.user_command == "quit")
return EXIT_FAILURE;
else if (state.user_command != "continue")
throw std::runtime_error("user_command is not recognized");
state.bsub = fmt::format
(
"bsub -J '{}'\n-q {}\n-n {}\n-R 'span[hosts=1]'\n-o 'output.txt'\nchn_vasp.sh {}",
state.job_name,
state.queue_entries[state.queue_selected],
state.ncores.empty() ? state.max_cores[state.queue_entries[state.queue_selected]] :
std::stoi(state.ncores),
[&]
{
auto version_level1 = state.vasp_version_entries_level1[state.vasp_version_selected[0]];
auto version_level2 = state.vasp_version_entries_level2[version_level1]
[state.vasp_version_selected[1]];
auto version_level3 = state.vasp_version_entries_level3[state.vasp_version_selected[2]];
return fmt::format
(
"{}{}_{}",
version_level1,
version_level2 == "(default)" ? ""s : "_" + version_level2,
version_level3
);
}()
);
screen.Loop(confirm_interface);
if (state.user_command == "quit")
return EXIT_FAILURE;
else if (state.user_command == "back")
continue;
else if (state.user_command != "submit")
throw std::runtime_error("user_command is not recognized");
submit(state.bsub);
break;
}
}