diff --git a/README.md b/README.md index 85355c7c95c500c87c58ed288cf26b1784249259..f2b89c6dbcc5d12cd05925551b34e79327f8f01d 100644 --- a/README.md +++ b/README.md @@ -53,7 +53,16 @@ source init.sh ``` -步骤2:生效应用模板 +步骤2:部署基础环境(目前仅支持HPCKit) +``` +#生效HPCKit安装模板 +./jarvis -use templates/basic_env/data.hpckit.config +#执行以下命令,完成基础环境部署 +./jarvis -dp +``` + + +步骤3:生效应用模板 进入hpcrunner根目录执行如下命令: ``` ./jarvis -use templates/xapp.config @@ -79,25 +88,25 @@ source init.sh -步骤3:下载安装包以及相关依赖 +步骤4:下载安装包以及相关依赖 ``` ./jarvis -d ``` -步骤4:安装应用依赖 +步骤5:安装应用依赖 ``` ./jarvis -dp ``` -步骤5:编译应用 +步骤6:编译应用 ``` ./jarvis -b ``` -步骤6:运行应用 +步骤7:运行应用 ``` ./jarvis -r diff --git a/package/openblas/meta.sh b/package/openblas/meta.sh index 0ca62310938397b4456f43c62cac67e03f1178b8..5bac5f1afe701d22f522243b773daf38f8d7306a 100644 --- a/package/openblas/meta.sh +++ b/package/openblas/meta.sh @@ -11,7 +11,7 @@ mv OpenBLAS OpenBLAS-${openblas_ver} cd OpenBLAS-${openblas_ver} git checkout v${openblas_ver} else -. ${DOWNLOAD_TOOL} -u $JARVIS_PROXY/OpenMathLib/OpenBLAS/releases/download/v${openblas_ver}/OpenBLAS-v${openblas_ver}.tar.gz -f OpenBLAS-${openblas_ver}.tar.gz +. ${DOWNLOAD_TOOL} -u $JARVIS_PROXY/OpenMathLib/OpenBLAS/releases/download/v${openblas_ver}/OpenBLAS-${openblas_ver}.tar.gz -f OpenBLAS-${openblas_ver}.tar.gz cd ${JARVIS_TMP} rm -rf OpenBLAS-${openblas_ver} tar -xzvf ${JARVIS_DOWNLOAD}/OpenBLAS-${openblas_ver}.tar.gz diff --git a/templates/basic_env/data.hpckit.config b/templates/basic_env/data.hpckit.config new file mode 100644 index 0000000000000000000000000000000000000000..8fea0a5f7388ae11595ca46172f2ede1f8101a50 --- /dev/null +++ b/templates/basic_env/data.hpckit.config @@ -0,0 +1,27 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] + +[DEPENDENCY] +set -e +set -x +./jarvis -install hpckit/${HPCKIT_VERSION} any + +[ENV] + +[APP] +app_name = +build_dir = +binary_dir = +case_dir = + +[BUILD] + +[CLEAN] +./jarvis -remove hpckit + +[RUN] +run = +binary = +nodes = 1 diff --git a/templates/vasp/6.5.1/data.vasp.arm_clang.cpu.config b/templates/vasp/6.5.1/data.vasp.arm_clang.cpu.config index 5b556ca631c3759cd25239ffc201d4fb78ad632e..27dd62595c74ea3bbe8c122c4b7c5d39b609cca8 100644 --- a/templates/vasp/6.5.1/data.vasp.arm_clang.cpu.config +++ b/templates/vasp/6.5.1/data.vasp.arm_clang.cpu.config @@ -1,20 +1,20 @@ [SERVER] 11.11.11.11 + [DOWNLOAD] + [DEPENDENCY] set -e set -x module purge -./jarvis -install hpckit/${HPCKIT_VERSION}/ any cd ${JARVIS_TMP} rm -rf ${JARVIS_TMP}/vasp.6.5.1 tar xf ${JARVIS_DOWNLOAD}/vasp.6.5.1.tgz - [ENV] module purge module use software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles @@ -33,12 +33,14 @@ blas_path="-L${HPCKIT_PATH}/HPCKit/${HMPI_VERSION}/kml/bisheng/lib/${kp}/kblas/m fftw_path="-L${HPCKIT_PATH}/HPCKit/${HMPI_VERSION}/kml/bisheng/lib/${kp} -lkfft -L/usr/lib64 -lfftw3" scalapack_path="-L${HPCKIT_PATH}/HPCKit/${HMPI_VERSION}/kml/bisheng/lib/${kp}/ -lkscalapack_full -lklapack_full -lkservice" + [APP] app_name = VASP build_dir = ${JARVIS_TMP}/vasp.6.5.1 binary_dir = ${JARVIS_TMP}/vasp.6.5.1/bin case_dir = + [BUILD] sed -i ' s@^[[:space:]]*FORALL (N=1:SIZE(BSE_INDEX%INDEX,1)) W1(N)%WDES1 => WDESK1@ !FORALL (N=1:SIZE(BSE_INDEX%INDEX,1)) W1(N)%WDES1 => WDESK1\n DO N=1,SIZE(BSE_INDEX%INDEX,1)\n W1(N)%WDES1 => WDESK1\n ENDDO@ @@ -120,9 +122,11 @@ EOF echo `pwd` make DEPS=1 -j all + [CLEAN] make veryclean + [RUN] run = mpirun --allow-run-as-root -np 32 -x OMP_NUM_THREADS=1 binary = vasp_std 2>&1 | tee -a vasp.out